Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7931354

CCOC(=O)CCCn1cc(C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)c(OCCCN3CCN(c4ccccc4OC)CC3)c2)c2ccccc21.Cl

nearest known ligand 0.60

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 14)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 2/20 0.45
HTR7 known ✓ P34969 2/20 0.45
ADRA1D known ✓ P25100 5/20 0.44
ADRA1A known ✓ P35348 3/20 0.44
ADRA1B known ✓ P35368 3/20 0.43
DRD2 known ✓ P14416 2/20 0.43
DRD3 known ✓ P35462 2/20 0.43
DRD4 known ✓ P21917 1/20 0.41
HTR1D known ✓ P28221 1/20 0.41
HTR1B known ✓ P28222 1/20 0.41
HTR2A known ✓ P28223 1/20 0.41
HTR2C known ✓ P28335 1/20 0.41
HTR2B known ✓ P41595 1/20 0.41
HTR5A known ✓ P47898 1/20 0.41

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 SCHEMBL7924603 0.94 ADRA1D (0.46) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7933943 0.93 ADRA1D (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7931358 0.87 ADRA1D (0.43) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7931374 0.87 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7924486 0.86 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7934761 0.86 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7924505 0.86 ADRA1D (0.55) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7933294 0.85 ADRA1D (0.54) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7924576 0.85 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
Hydrochloric Acid SCHEMBL7933275 0.85 ADRA1D (0.53) HTR1AHTR7ADRA1DADRA1AADRA1B

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
US-6242449-B1 TREATING PROSTATIC HYPERTROPHY, URINATION DISORDERS ASSOCIATED WITH PROSTATIC HYPERTROPHY, MALE PATTERN ALOPECIA, OR ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-0997457-A1 3-BENZOYLINDOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-05-03 EP disclosed