SCHEMBL4655334

SCHEMBL4655334

Cn1ccc2cc(NC(=O)c3cc4cc(Cl)ccc4n3Cc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.61
ABCB1 P08183 1/20 0.49
ECE1 P42892 1/20 0.49
CCR9 P51686 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL4656155 0.94 PPARG (0.56) PPARGECE1
SCHEMBL3574151 0.92 PPARG (0.64) PPARGECE1
SCHEMBL4655349 0.91 PPARG (0.54) PPARGECE1
SCHEMBL4655243 0.91 PPARG (0.56) PPARGECE1
SCHEMBL4656134 0.89 ECE1 (0.52) PPARGECE1
SCHEMBL3578189 0.89 PPARG (0.55) PPARGABCB1ECE1
SCHEMBL4655390 0.89 MAOB (0.50) PPARGABCB1ECE1RXFP1
SCHEMBL4656151 0.88 PPARG (0.49) PPARGECE1
SCHEMBL4655303 0.86 ECE1 (0.49) PPARGABCB1ECE1RXFP1
SCHEMBL4656135 0.86 PPARG (0.53) PPARGCCR9

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
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 CN claimed
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