Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8549073

CCOC(=O)c1cc2c(N3CCN(CCc4ccc(OC)cc4)CC3)cccc2s1.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 12)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 3/20 0.52
ADRA1A known ✓ P35348 3/20 0.52
ADRA1B known ✓ P35368 3/20 0.52
HTR1A known ✓ P08908 12/20 0.51
SLC6A4 known ✓ P31645 2/20 0.51
DRD2 known ✓ P14416 6/20 0.49
HTR2A known ✓ P28223 6/20 0.49
HTR1D known ✓ P28221 2/20 0.46
HTR1B known ✓ P28222 2/20 0.46
SIGMAR1 known ✓ Q99720 1/20 0.45
HTR2C known ✓ P28335 1/20 0.44
THRB P10828 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
SCHEMBL8551141 0.99 ADRA1D (0.52) ADRA1DADRA1AADRA1BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL8545102 0.92 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2AHTR1D
SCHEMBL8545233 0.91 HTR1A (0.54) HTR1ASLC6A4DRD2HTR2AHTR1D
Hydrochloric Acid SCHEMBL8545546 0.91 HTR1A (0.52) ADRA1DADRA1AADRA1BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL8546533 0.90 HTR1A (0.52) ADRA1DADRA1AADRA1BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL8543418 0.90 HTR1A (0.52) HTR1ASLC6A4DRD2HTR2AHTR1D
SCHEMBL8545047 0.90 HTR1A (0.53) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL8549120 0.89 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2AHTR1D
SCHEMBL8545117 0.89 HTR1A (0.53) ADRA1DADRA1AADRA1BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL8551587 0.88 KCNJ1 (0.60) HTR1ASLC6A4DRD2HTR2AHTR1D

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 4 patents. 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
US-5436246-A Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension MERRELL DOW PHARMACEUTICALS INC. 1995-07-25 US disclosed
EP-0660832-A1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-05 EP disclosed
WO-1994006789-A1 SEROTONIN RECEPTOR AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-31 WO disclosed