SCHEMBL4656135

SCHEMBL4656135

COc1ccc2cc(C(=O)Nc3ccc4c(ccn4C)c3)n(Cc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.53
MAPT P10636 2/20 0.47
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
CCR9 P51686 1/20 0.44
F10 P00742 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL3578189 0.95 PPARG (0.55) PPARGMAPTPLGPLAUPLAT
SCHEMBL4655397 0.89 MAOB (0.48) PPARGMAPTCCR9F10
SCHEMBL3574151 0.88 PPARG (0.64) PPARG
SCHEMBL4656155 0.88 PPARG (0.56) PPARG
SCHEMBL4655400 0.86 PPARG (0.49) PPARGMAPTF10
SCHEMBL4655243 0.86 PPARG (0.56) PPARG
SCHEMBL4655334 0.86 PPARG (0.61) PPARGCCR9
SCHEMBL4655349 0.86 PPARG (0.54) PPARGF10
SCHEMBL4655329 0.84 ECE1 (0.49) PPARGMAPTF10
SCHEMBL4656151 0.82 PPARG (0.49) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776340-B1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2008-12-03 EP claimed