Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6980746

Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)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 18)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 1/20 0.59
HDAC8 known ✓ Q9BY41 3/20 0.56
POLB P06746 1/20 0.61
AKT1 P31749 4/20 0.59
AKT2 P31751 2/20 0.59
AKT3 Q9Y243 2/20 0.59
CYP3A4 P08684 1/20 0.59
GFER P55789 1/20 0.58
TP53 P04637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GRM5 P41594 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.54
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4772342 0.99 POLB (0.62) POLBAKT1AKT2AKT3ROCK2
SCHEMBL4795185 0.92 DPP4 (0.60) POLBAKT1AKT2AKT3ROCK2
SCHEMBL4776886 0.88 AKT1 (0.56) POLBAKT1AKT2AKT3ROCK2
SCHEMBL4775798 0.86 MEN1 (0.64) POLBAKT1AKT2AKT3TP53
SCHEMBL4776488 0.86 MAPT (0.58) POLBAKT1AKT2AKT3GFER
SCHEMBL4770054 0.83 AKT1 (0.57) POLBAKT1AKT2AKT3TP53
Hydrochloric Acid SCHEMBL6982317 0.82 KMT2A (0.58) AKT1AKT2AKT3ROCK2CYP3A4
SCHEMBL4773516 0.82 TP53 (0.59) POLBAKT1AKT2AKT3CYP3A4
SCHEMBL7391221 0.81 DPP8 (0.62) AKT1AKT2AKT3HDAC8
SCHEMBL7391223 0.81 DPP8 (0.62) AKT1AKT2AKT3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6551999-B1 For therapy and prophylaxis of angiogenesis associated with wound healing, inflammation, growth of tumor and the like; angiogenesis as seen in diabetic retinopathy, prematurity retinopathy, retinal venous occlusion, metastasis of tumors SENJU PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
EP-0771565-B1 Angiogenesis inhibitor SENJU PHARMA CO (JP) 2003-01-02 EP disclosed
US-6214800-B1 ANGIOGENESIS INHIBITORS SENJU PHARMACEUTICAL CO., LTD. (JP) 2001-04-10 US disclosed
US-6057290-A ADMINISTERING A CYSTEINE PROTEASE INHIBITOR TO A PATIENT FOR INHIBITING ANGIOGENESIS SENJU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
US-5935959-A CYSTEINE PROTEASE INHIBITORS SENJU PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0928786-A1 Angiogenesis inhibitor Senju Pharmaceutical Co., Ltd. (JP) 1999-07-14 EP disclosed
EP-0927716-A1 Angiogenesis inhibitor Senju Pharmaceutical Co., Ltd. (JP) 1999-07-07 EP disclosed
EP-0838460-A1 PIPERAZINE DERIVATIVES AND USE OF THE SAME Senju Pharmaceutical Co., Ltd. (JP) 1998-04-29 EP disclosed
CN-1163145-A Inhibiting agent for vascular formation SENJI SEIYAKU K K (JP) 1997-10-29 CN disclosed
EP-0771565-A2 Angiogenesis inhibitor Senju Pharmaceutical Co., Ltd. (JP) 1997-05-07 EP disclosed