Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5499595

CCN(CC)CCC(=O)N1c2ccccc2Sc2ccccc21.Cl

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
BCHE known ✓ P06276 9/20 0.66
ACHE known ✓ P22303 4/20 0.66
HRH2 known ✓ P25021 2/20 0.61
HTR2A known ✓ P28223 2/20 0.61
SLC6A3 known ✓ Q01959 2/20 0.61
CHRM2 known ✓ P08172 1/20 0.61
CHRM4 known ✓ P08173 1/20 0.61
HTR1A known ✓ P08908 1/20 0.61
CHRM5 known ✓ P08912 1/20 0.61
CHRM1 known ✓ P11229 1/20 0.61
ADRA2C known ✓ P18825 1/20 0.61
CHRM3 known ✓ P20309 1/20 0.61
HTR1D known ✓ P28221 1/20 0.61
HTR2C known ✓ P28335 1/20 0.61
HRH1 known ✓ P35367 1/20 0.61
DRD3 known ✓ P35462 1/20 0.61
HTR2B known ✓ P41595 1/20 0.61
HTR3A known ✓ P46098 1/20 0.61
HRH3 known ✓ Q9Y5N1 1/20 0.61
ADRB3 known ✓ P13945 1/20 0.55

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
SCHEMBL6313879 0.99 BCHE (0.65) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL11614590 0.89 ALDH1A1 (0.79) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL30719025 0.88 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL29388455 0.88 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL309939 0.88 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL1650585 0.86 ALDH1A1 (0.74) BCHEACHEHRH2HTR2ASLC6A3
Fluacizine SCHEMBL29388364 0.85 MEN1 (0.61) BCHEACHESLC6A3CHRM2HTR1A
Fluacizine SCHEMBL49497 0.85 MEN1 (0.61) BCHEACHESLC6A3CHRM2HTR1A
SCHEMBL7350072 0.84 BCHE (0.63) BCHEACHEHRH2HTR2ASLC6A3
Fluacizine SCHEMBL1650048 0.83 MEN1 (0.59) BCHEACHESLC6A3CHRM2HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755696-A1 NATURAL BIODEGRADABLE POLYSACCHARIDE COATINGS FOR MEDICAL ARTICLES SurModics, Inc. (US) 2007-02-28 EP disclosed
WO-2006031532-A2 METHODS, DEVICES, AND COATINGS FOR CONTROLLED ACTIVE AGENT RELEASE SURMODICS, INC. (US) 2006-03-23 WO disclosed
WO-2005113034-A1 NATURAL BIODEGRADABLE POLYSACCHARIDES COATINGS FOR MEDICAL ARTICLES SURMODICS, INC. (US) 2005-12-01 WO disclosed