Hydrochloric Acid

Hydrochloric Acid

SCHEMBL793323

CN(C)CCCNC(=O)O.Cl

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PAOX Q6QHF9 1/20 0.46
HPGD P15428 1/20 0.45
KDM4A O75164 6/20 0.43
KDM4C Q9H3R0 6/20 0.43
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL794226 0.98 DNM1 (0.53) DNM1KDM4EHTTMEN1ALDH1A1
Methylamine SCHEMBL28500749 0.93 DNM1 (0.50) DNM1KDM4EHTTMEN1ALDH1A1
SCHEMBL20501368 0.91 KDM4E (0.49) DNM1KDM4EALDH1A1PAOXKDM4A
SCHEMBL27503353 0.86 DNM1 (0.53) DNM1KDM4EHTTALDH1A1PAOX
Hydrochloric Acid SCHEMBL17022764 0.86 DNM1 (0.47) DNM1KDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL10730965 0.84 DNM1 (0.53) DNM1KDM4EHTTMEN1ALDH1A1
SCHEMBL1414877 0.83
SCHEMBL18339127 0.82 SIGMAR1 (0.41) DNM1KDM4AKDM4C
SCHEMBL78355 0.81 KDM4E (0.59) DNM1KDM4EHTTMEN1ALDH1A1
SCHEMBL36169 0.81 DNM1 (0.55) DNM1KDM4EHTTMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013180589-A1 SYNERGISTIC FUNGICIDAL MIXTURE CONTAINING DIMETHOMORPH AND PROPAMOCARB-HYDROCHLORIDE SAPEC AGRO S.A. (PT) 2013-12-05 WO disclosed
EP-2335481-B1 Pesticide composition comprising propamocarb-hydrochloride and a spirocyclic inhibitor of acetyl CoA carboxylase BAYER CROPSCIENCE AG (DE) 2013-09-18 EP disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
EP-2338341-B1 Pesticide composition comprising propamocarb-hydrochloride and rynaxapyr BAYER CROPSCIENCE AG (DE) 2013-07-03 EP disclosed
US-20120282345-A1 PESTICIDE COMPOSITION COMPRISING PROPAMOCARB-HYDROCHLORIDE AND AN INSECTICIDE ACTIVE SUBSTANCE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-08 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
EP-2111111-A2 PESTICIDE COMPOSITION COMPRISING FOSETYL-ALUMINIUM, PROPAMOCARB-HCL AND AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2009-10-28 EP disclosed
EP-2111109-A2 PESTICIDE COMPOSITION COMPRISING PROPAMOCARB-HYDROCHLORIDE AND AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2009-10-28 EP disclosed
WO-2008077931-A2 PESTICIDE COMPOSITION COMPRISING FOSETYL-ALUMINIUM, PROPAMOCARB-HCL AND AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
WO-2008077926-A2 PESTICIDE COMPOSITION COMPRISING PROPAMOCARB-HYDROCHLORIDE AND AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
EP-1624755-A1 COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF Arch UK Biocides Limited (GB) 2006-02-15 EP disclosed
WO-2004100664-A1 COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2001056386-A9 COMPOSITIONS AND METHODS FOR CONTROLLING ALGAE IN RECIRCULATING WATER SYSTEMS AVECIA INC (US) 2002-04-04 WO disclosed
WO-2001056386-A2 COMPOSITIONS AND METHODS FOR CONTROLLING ALGAE IN RECIRCULATING WATER SYSTEMS AVECIA INC. (US) 2001-08-09 WO disclosed
WO-1991019703-A2 FUNGICIDAL IMINOOXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120282345-A1 PESTICIDE COMPOSITION COMPRISING PROPAMOCARB-HYDROCHLORIDE AND AN INSECTICIDE ACTIVE SUBSTANCE NAPEPLD, DDT, PHOSPHO1 DNM1 2578/4885KDM4E 2253/4885HTT 88/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.