SCHEMBL8537672

SCHEMBL8537672

O=C(NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.55
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
EPHX2 P34913 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 2/20 0.50
HDAC1 Q13547 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8535112 0.84 HTR2A (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8537664 0.83 PDCD1 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9522984 0.80 RAB9A (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8863594 0.78 ALDH1A1 (0.64) EPHX2MAPTHTTALDH1A1EPHX1
SCHEMBL8536314 0.77 LSS (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8538842 0.77 LSS (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8537654 0.77 HTR2A (0.59) MAPTHTTALDH1A1LSSHTR2A
SCHEMBL26401026 0.77 KMT2A (0.71) MAPTHTTSMN1; SMN2KMT2ARAB9A
SCHEMBL8534724 0.76 LSS (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7202639 0.76 ALDH1A1 (0.59) MAPTHTTALDH1A1HDAC1SMN1; SMN2

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