SCHEMBL8536946

SCHEMBL8536946

CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
LSS P48449 1/20 0.46
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
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
F10 P00742 1/20 0.42
EPHX1 P07099 2/20 0.42
DRD3 P35462 2/20 0.42
CD38 P28907 1/20 0.42
SLC9A1 P19634 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HTT P42858 1/20 0.41

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 0.90 LSS (0.48) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL9589824 0.86 EPHX2 (0.46) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL8539071 0.81 KMT2A (0.50) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8534755 0.81 LSS (0.46) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL8535112 0.79 HTR2A (0.54) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL8534724 0.77 LSS (0.48) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL8534752 0.76 LSS (0.46) LSSHTR2AHTR2CHTR2BF10
SCHEMBL8534116 0.76 LSS (0.49) LSSHTR2AHTR2CHTR2BDRD3
SCHEMBL8537664 0.76 PDCD1 (0.52) PDCD1CD274LSSPRKAB2PRKAG1
SCHEMBL8539476 0.76 QPCTL (0.44) PDCD1CD274LSSPRKAB2PRKAG1

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