Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8178596

COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1.Cl

nearest known ligand 0.98

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
SLC6A1 known ✓ P30531 2/20 0.98
OPRM1 known ✓ P35372 1/20 0.48
OPRD1 known ✓ P41143 1/20 0.48
OPRK1 known ✓ P41145 1/20 0.48
DRD3 known ✓ P35462 1/20 0.46
SIGMAR1 known ✓ Q99720 4/20 0.46
HTR1A known ✓ P08908 3/20 0.44
HTR1D known ✓ P28221 3/20 0.44
HTR1B known ✓ P28222 3/20 0.44
HTR2A known ✓ P28223 3/20 0.44
HTR2C known ✓ P28335 3/20 0.44
HTR7 known ✓ P34969 3/20 0.44
HTR2B known ✓ P41595 3/20 0.44
HTR5A known ✓ P47898 2/20 0.44
KCNH2 known ✓ Q12809 1/20 0.44
SLC6A12 P48065 2/20 0.98
SLC6A11 P48066 2/20 0.98
SLC6A13 Q9NSD5 1/20 0.98
OPRL1 P41146 1/20 0.48
KDM4E B2RXH2 1/20 0.44

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
Hydrochloric Acid SCHEMBL30286393 1.00 SLC6A1 (0.98) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL29462287 0.99 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL4293184 0.99 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL8174686 0.88 SLC6A1 (0.80) SLC6A1SLC6A12SLC6A11SLC6A13DRD3
Hydrochloric Acid SCHEMBL8174613 0.85 SLC6A1 (0.71) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL8180259 0.83 SLC6A1 (0.73) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
Hydrochloric Acid SCHEMBL8175474 0.82 SLC6A1 (0.98) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL8182586 0.81 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
Hydrochloric Acid SCHEMBL5592234 0.80 SLC6A1 (0.64) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
Hydrochloric Acid SCHEMBL8182512 0.79 SLC6A1 (0.74) SLC6A1SLC6A12SLC6A11SLC6A13OPRL1

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
US-6071932-A SUPPRESSING ABSORPTION OF GAMMA-AMINOBUTYRIC ACID FOR TREATMENT OF NERVOUS SYSTEM DISORDERS BRITISH TECHNOLOGY GROUP INTERCORPORATE LICENSING LIMITED (GB) 2000-06-06 US disclosed