Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6999560

Cc1nc(N(C)c2ccccc2)nc(N2CCc3ccccc3[C@@H]2C)c1C.Cl

nearest known ligand 0.37

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
PPARG known ✓ P37231 1/20 0.32
DRD1 known ✓ P21728 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRCP P42785 1/20 0.33
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32

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 SCHEMBL6990607 1.00 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6990610 1.00 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL6991158 0.99 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6994238 0.87 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7819979 0.84 EHMT2 (0.38) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL7810189 0.83 EHMT2 (0.38) L3MBTL1NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL8571829 0.82 PRCP (0.33) L3MBTL1ALDH1A1MAPTPRCPTSHR
Hydrochloric Acid SCHEMBL8566796 0.82 PRCP (0.33) L3MBTL1ALDH1A1MAPTPRCPTSHR
Hydrochloric Acid SCHEMBL8566799 0.82 PRCP (0.33) L3MBTL1ALDH1A1MAPTPRCPTSHR
Hydrochloric Acid SCHEMBL6997882 0.82 NPC1 (0.36) L3MBTL1NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110740-C Multi-key co-impact Chinese character coding input method and keyboard LUO KANGYI (CN) 2003-06-04 CN claimed
CN-1102144-C Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 2003-02-26 CN claimed
US-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 US claimed
CN-1155281-A Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 1997-07-23 CN claimed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP claimed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO claimed
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP disclosed
CN-1102144-C Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 2003-02-26 CN disclosed
US-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 US disclosed
CN-1155281-A Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 1997-07-23 CN disclosed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP disclosed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO disclosed