Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11149417

Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl

nearest known ligand 0.57

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 5/20 0.57
▸ DRD3 known ✓ P35462 5/20 0.57
▸ ADRA1B known ✓ P35368 1/20 0.47
▸ MAOB known ✓ P27338 1/20 0.46
▸ GAA known ✓ P10253 1/20 0.45
▸ CHRM2 known ✓ P08172 1/20 0.44
▸ CHRM1 known ✓ P11229 1/20 0.44
▸ ADRA2C known ✓ P18825 1/20 0.44
▸ CHRM3 known ✓ P20309 1/20 0.44
▸ SLC6A2 known ✓ P23975 1/20 0.44
▸ HTR2A known ✓ P28223 1/20 0.44
▸ HTR2C known ✓ P28335 1/20 0.44
▸ AGTR1 known ✓ P30556 1/20 0.44
▸ SLC6A4 known ✓ P31645 1/20 0.44
▸ ADRA1A known ✓ P35348 1/20 0.44
▸ HRH1 known ✓ P35367 1/20 0.44
▸ OPRM1 known ✓ P35372 1/20 0.44
▸ AVPR1A known ✓ P37288 1/20 0.44
▸ OPRK1 known ✓ P41145 1/20 0.44
▸ SLC6A3 known ✓ Q01959 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 SCHEMBL11149764 0.90 DRD2 (0.58) DRD2DRD3ADRA1BALOX5MAOB
Hydrochloric Acid SCHEMBL11149507 0.90 DRD2 (0.63) DRD2DRD3ADRA1BALOX5MAOB
Hydrochloric Acid SCHEMBL11150520 0.87 DRD2 (0.58) DRD2DRD3ADRA1BALOX5MAOB
Hydrochloric Acid SCHEMBL11152426 0.84 DRD2 (0.58) DRD2DRD3ADRA1BMAOBP2RX7
Hydrochloric Acid SCHEMBL11149567 0.82 DRD2 (0.58) DRD2DRD3ADRA1BALOX5MAOB
Hydrochloric Acid SCHEMBL11149834 0.82 DRD3 (0.60) DRD2DRD3ADRA1BMAOBP2RX7
Hydrochloric Acid SCHEMBL11151692 0.81 DRD2 (0.63) DRD2DRD3ADRA1BMAOBP2RX7
SCHEMBL11147296 0.81 DRD2 (0.63) DRD2DRD3ADRA1BMAOBP2RX7
Hydrochloric Acid SCHEMBL11147710 0.79 DRD2 (0.70) DRD2DRD3ADRA1BMAOBP2RX7
SCHEMBL11149334 0.79 DRD2 (0.60) DRD2DRD3ADRA1BMAOBP2RX7

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-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 — — US disclosed
EP-0010398-B1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-27 — — EP disclosed
EP-0010398-A1 Isatin derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 — — EP disclosed
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