Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8551558

CNC(=O)c1cc2c(N3CCNCC3)cccc2s1.Cl.Cl.O

nearest known ligand 0.55

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
HTR1A known ✓ P08908 3/20 0.55
SLC6A4 known ✓ P31645 1/20 0.55
HTR5A known ✓ P47898 2/20 0.41
HTR6 known ✓ P50406 4/20 0.41
HTR2A known ✓ P28223 2/20 0.41
HTR3E known ✓ A5X5Y0 1/20 0.41
HTR3B known ✓ O95264 1/20 0.41
HTR1D known ✓ P28221 1/20 0.41
HTR1B known ✓ P28222 1/20 0.41
HTR7 known ✓ P34969 1/20 0.41
HTR3A known ✓ P46098 1/20 0.41
HTR3D known ✓ Q70Z44 1/20 0.41
HTR3C known ✓ Q8WXA8 1/20 0.41
SIGMAR1 known ✓ Q99720 1/20 0.41
HDAC3 known ✓ O15379 2/20 0.41
HDAC4 known ✓ P56524 2/20 0.41
HDAC1 known ✓ Q13547 2/20 0.41
HDAC7 known ✓ Q8WUI4 2/20 0.41
HDAC2 known ✓ Q92769 2/20 0.41
HDAC10 known ✓ Q969S8 2/20 0.41

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
SCHEMBL6017110 0.98 HTR1A (0.56) HTR1ASLC6A4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL17996835 0.84 ALDH1A1 (0.48) HTR1ASLC6A4KDM4EALDH1A1LMNA
SCHEMBL17996840 0.83 HTR5A (0.47) HTR1ASLC6A4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6439780 0.81 HTR1A (0.64) HTR1ASLC6A4KDM4EALDH1A1HTR2A
Hydrochloric Acid SCHEMBL8548772 0.80 MAPT (0.43) HTR1ASLC6A4KDM4EALDH1A1LMNA
SCHEMBL8548654 0.78 MAPT (0.43) HTR1ASLC6A4KDM4ELMNAHTR5A
Hydrochloric Acid SCHEMBL8547734 0.78 HTR1A (0.70) HTR1ASLC6A4ALDH1A1HTR6HTR2A
SCHEMBL6017392 0.76 HTR1A (0.71) HTR1ASLC6A4ALDH1A1HTR6HTR2A
Hydrochloric Acid SCHEMBL31414529 0.74 HTR6 (0.50) HTR1AKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL30839781 0.73 KDM4E (0.53) HTR1ASLC6A4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP disclosed