SCHEMBL8539477

SCHEMBL8539477

CCCCNC(=C[N+](=O)[O-])NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 1/20 0.44
LSS P48449 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
F10 P00742 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DRD3 P35462 3/20 0.39
CD38 P28907 1/20 0.39
SLC9A1 P19634 1/20 0.38
KMT2A Q03164 1/20 0.38
AXL P30530 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
SCHEMBL8539476 1.00 QPCTL (0.44) QPCTLLSSPDCD1CD274PRKAB2
SCHEMBL8538842 0.85 LSS (0.48) LSSPDCD1CD274PRKAB2PRKAG1
SCHEMBL8534755 0.84 LSS (0.46) LSSPDCD1CD274PRKAB2PRKAG1
SCHEMBL9589824 0.82 EPHX2 (0.46) LSSPDCD1CD274PRKAB2PRKAG1
SCHEMBL8534116 0.81 LSS (0.49) LSSHTR2AHTR2CHTR2BDRD3
SCHEMBL9523080 0.79 MMP1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8534724 0.79 LSS (0.48) LSSPDCD1CD274PRKAB2PRKAG1
SCHEMBL9523780 0.77 LSS (0.55) LSSHTR2AHTR2CHTR2BDRD3
SCHEMBL8537652 0.77 CYP1A2 (0.47) LSSPDCD1CD274PRKAB2PRKAG1
SCHEMBL8540635 0.77 GPR119 (0.48) LSSF10HTR2AHTR2CHTR2B

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 4 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 disclosed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO disclosed