SCHEMBL8534724

SCHEMBL8534724

CCCCCC(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
MMP1 P03956 2/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
GPR119 Q8TDV5 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
SCHEMBL8538842 0.85 LSS (0.48) LSSHTR2AHTR2CHTR2BPDCD1
SCHEMBL8534514 0.85 HTR2A (0.51) LSSMAPTSMN1; SMN2HTR2AHTR2C
SCHEMBL8537652 0.85 CYP1A2 (0.47) LSSMAPTSMN1; SMN2HTR2AHTR2C
SCHEMBL8534755 0.84 LSS (0.46) LSSSMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL8536314 0.83 LSS (0.50) LSSHTR2AHTR2CHTR2BPDCD1
SCHEMBL9589824 0.82 EPHX2 (0.46) LSSHTR2AHTR2CHTR2BPDCD1
SCHEMBL8535112 0.82 HTR2A (0.54) LSSHTR2AHTR2CHTR2BPDCD1
SCHEMBL8535599 0.80 LSS (0.50) LSSHTR2AHTR2CHTR2BPDCD1
SCHEMBL8539789 0.80 GAA (0.56) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8534116 0.79 LSS (0.49) LSSSMN1; SMN2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537201-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP claimed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP claimed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US claimed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO claimed
EP-0537201-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed