Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4020264

CCC(=O)Nc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C.Cl.O

nearest known ligand 0.43

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 11)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 2/20 0.42
OPRM1 known ✓ P35372 4/20 0.40
DRD4 known ✓ P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.43
RIN1 Q13671 2/20 0.42
MCHR1 Q99705 2/20 0.39
MEN1 O00255 1/20 0.39
NPBWR1 P48145 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHIA Q9BZP6 1/20 0.38

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 SCHEMBL7469382 0.99 L3MBTL1 (0.44) L3MBTL1ABL1RIN1OPRM1MCHR1
SCHEMBL2831451 0.98 L3MBTL1 (0.44) L3MBTL1ABL1RIN1OPRM1MCHR1
Hydrochloric Acid SCHEMBL7470582 0.93 L3MBTL1 (0.41) L3MBTL1ABL1RIN1OPRM1MCHR1
Piperidine SCHEMBL7470820 0.91 L3MBTL1 (0.42) L3MBTL1ABL1RIN1OPRM1MCHR1
Hydrochloric Acid SCHEMBL7475741 0.91 L3MBTL1 (0.40) L3MBTL1ABL1RIN1OPRM1MCHR1
Oxalic Acid SCHEMBL7475838 0.90 L3MBTL1 (0.42) L3MBTL1ABL1RIN1OPRM1MCHR1
SCHEMBL7475845 0.88 L3MBTL1 (0.42) L3MBTL1ABL1RIN1OPRM1MCHR1
Hydrochloric Acid SCHEMBL7464869 0.88 L3MBTL1 (0.42) L3MBTL1ABL1RIN1MCHR1MEN1
SCHEMBL7466257 0.87 ABL1 (0.44) L3MBTL1ABL1RIN1OPRM1MCHR1
Hydrochloric Acid SCHEMBL7470813 0.86 L3MBTL1 (0.42) L3MBTL1ABL1RIN1OPRM1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591806-A1 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP claimed
US-7008920-B2 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-03-07 US claimed
US-20050095290-A1 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. 2005-05-05 US claimed
US-20040161407-A1 Medicinal compositions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-08-19 US claimed
EP-1407785-A1 MEDICINAL COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-04-14 EP claimed
EP-2591806-A1 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
US-7531499-B2 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-7008920-B2 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-03-07 US disclosed
US-20050100530-A1 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. 2005-05-12 US disclosed
US-20050095290-A1 Medicinal composition OTSUKA PHARMACEUTICAL CO., LTD. 2005-05-05 US disclosed
US-6884768-B2 Using taurine compound; adjust bioavailability; prevent, suppression damage to intestine mucous membrane OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
US-20040161407-A1 Medicinal compositions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-08-19 US disclosed
EP-1407785-A1 MEDICINAL COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-04-14 EP disclosed