Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8175474

COc1ccc(C2(O)CCN(CCCn3c4ccccc4c4ccccc43)CC2)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 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 known ✓ P30531 2/20 0.98
DRD2 known ✓ P14416 1/20 0.53
DRD4 known ✓ P21917 1/20 0.53
DRD3 known ✓ P35462 1/20 0.53
OPRM1 known ✓ P35372 1/20 0.49
OPRD1 known ✓ P41143 1/20 0.49
OPRK1 known ✓ P41145 1/20 0.49
SLC6A12 P48065 2/20 0.98
SLC6A11 P48066 2/20 0.98
SLC6A13 Q9NSD5 1/20 0.67
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
KMT2A Q03164 1/20 0.64
CCR1 P32246 3/20 0.56
SMPD1 P17405 2/20 0.53
OPRL1 P41146 1/20 0.49

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
SCHEMBL8182586 0.99 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13MEN1
Hydrochloric Acid SCHEMBL8182512 0.87 SLC6A1 (0.74) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
SCHEMBL8174303 0.85 SLC6A1 (0.76) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
Hydrochloric Acid SCHEMBL8175302 0.85 SLC6A1 (0.71) SLC6A1SLC6A12SLC6A11SLC6A13CCR1
Hydrochloric Acid SCHEMBL8176712 0.84 SLC6A1 (0.70) SLC6A1SLC6A12SLC6A11SLC6A13MEN1
SCHEMBL8174686 0.84 SLC6A1 (0.80) SLC6A1SLC6A12SLC6A11SLC6A13MEN1
SCHEMBL8174918 0.83 SLC6A1 (0.73) SLC6A1SLC6A12SLC6A11SLC6A13CCR1
SCHEMBL8167409 0.83 SLC6A1 (0.72) SLC6A1SLC6A12SLC6A11SLC6A13MEN1
Hydrochloric Acid SCHEMBL8176424 0.82 SLC6A1 (0.68) SLC6A1SLC6A12SLC6A11MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8175645 0.82 SLC6A1 (0.68) SLC6A1SLC6A12SLC6A11SLC6A13MEN1

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
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
EP-0823905-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1998-02-18 EP disclosed
WO-1996034863-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1996-11-07 WO disclosed