Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7438441

COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3oc4ccccc4c3c2)CC1.Cl

nearest known ligand 0.72

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
DRD2 known ✓ P14416 16/20 0.72
DRD3 known ✓ P35462 12/20 0.72
DRD4 known ✓ P21917 9/20 0.72
HTR1A known ✓ P08908 6/20 0.72
ADRA2A known ✓ P08913 4/20 0.72
ADRA1D known ✓ P25100 4/20 0.72
ADRA1A known ✓ P35348 4/20 0.72
ADRA1B known ✓ P35368 4/20 0.72
DRD1 known ✓ P21728 3/20 0.72
HTR2A known ✓ P28223 3/20 0.72
HTR2C known ✓ P28335 3/20 0.72
HTR2B known ✓ P41595 3/20 0.72
ADRA2B known ✓ P18089 1/20 0.72
ADRA2C known ✓ P18825 1/20 0.72
SLC6A2 known ✓ P23975 1/20 0.72
HTR1B known ✓ P28222 1/20 0.72
SLC6A4 known ✓ P31645 1/20 0.72
HTR7 known ✓ P34969 1/20 0.72
HRH1 known ✓ P35367 1/20 0.72
OPRM1 known ✓ P35372 1/20 0.72

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 SCHEMBL7445503 0.87 DRD2 (0.71) DRD2DRD3DRD4HTR1AADRA2A
Hydrochloric Acid SCHEMBL7540561 0.86 DRD2 (0.70) DRD2DRD3DRD4HTR1AADRA2A
Hydrochloric Acid SCHEMBL7438447 0.85 DRD3 (0.68) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7452109 0.84 DRD3 (0.70) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL2318865 0.83 DRD2 (0.69) DRD2DRD3DRD4HTR1AADRA2A
Hydrochloric Acid SCHEMBL7595382 0.83 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA2A
Hydrochloric Acid SCHEMBL7590666 0.83 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL7342827 0.83 DRD2 (0.81) DRD2DRD3DRD4HTR1AADRA2A
Bp-897 SCHEMBL2125882 0.83 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL7528464 0.83 DRD2 (0.79) DRD2DRD3DRD4HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891354-A1 N-AMINOALKYLDIBENZOFURANCARBOXAMIDES AS DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-20 EP claimed
WO-1997031916-A1 N-AMINOALKYLDIBENZOFURANCARBOXAMIDES AS DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-09-04 WO claimed