SCHEMBL17997448

SCHEMBL17997448

Cn1ccc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3ccccc3C(F)(F)F)cnc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 18/20 0.57
AR P10275 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL17997437 0.93 ECE1 (0.55) ECE1
SCHEMBL926424 0.85 PPARG (0.49) ECE1
SCHEMBL926660 0.84 MAOB (0.47) ECE1
SCHEMBL926515 0.82 PPARG (0.45) ECE1
SCHEMBL926845 0.82 ECE1 (0.53) ECE1
SCHEMBL931800 0.78 PPARG (0.59)
SCHEMBL4655323 0.77 ECE1 (0.63) ECE1
SCHEMBL3805268 0.77 ECE1 (0.57) ECE1
SCHEMBL17997441 0.77 ECE1 (0.50) ECE1
SCHEMBL17997438 0.76 ECE1 (0.55) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP claimed
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed