Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9098451

Cl.Cl.O=C1Cc2cc(Br)ccc2N1CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

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
▸ DRD4 known ✓ P21917 3/20 0.61
▸ DRD2 known ✓ P14416 3/20 0.61
▸ DRD3 known ✓ P35462 2/20 0.52
▸ CHRM2 known ✓ P08172 1/20 0.52
▸ CHRM4 known ✓ P08173 1/20 0.52
▸ CHRM5 known ✓ P08912 1/20 0.52
▸ CHRM1 known ✓ P11229 1/20 0.52
▸ CHRM3 known ✓ P20309 1/20 0.52
▸ HTR7 known ✓ P34969 3/20 0.45
▸ HTR1A known ✓ P08908 2/20 0.45
▸ ACHE known ✓ P22303 1/20 0.43
▸ OPRM1 known ✓ P35372 1/20 0.43
▸ OPRK1 known ✓ P41145 1/20 0.43
▸ POLB P06746 1/20 0.47
▸ DRD5 P21918 1/20 0.45
▸ MC4R P32245 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALDH2 P05091 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ OPRL1 P41146 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
Hydrochloric Acid SCHEMBL9096256 0.85 DRD2 (0.81) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9095908 0.85 DRD2 (0.62) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9096312 0.85 DRD2 (0.62) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9096134 0.85 DRD2 (0.62) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9097905 0.85 DRD2 (0.62) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9096977 0.85 DRD2 (0.65) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9096389 0.84 DRD2 (0.83) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9094905 0.84 DRD4 (0.64) DRD4DRD2DRD3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9384289 0.83 DRD2 (0.57) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL9096047 0.82 DRD2 (0.58) DRD4DRD2DRD3CHRM2CHRM4

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
CN-1034939-C New compounds ASTRA AB (SE) 1997-05-21 — — CN disclosed
US-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 — — US disclosed
Send feedback