SCHEMBL4656153

SCHEMBL4656153

Cn1ccc2cc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4n3Cc3cccc(F)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 8/20 0.50
CNR1 P21554 7/20 0.48
PPARG P37231 2/20 0.46
F10 P00742 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL4655287 0.93 CNR1 (0.51) ECE1CNR1PPARGF10
SCHEMBL4655329 0.92 ECE1 (0.49) ECE1PPARGF10MAOBMAPT
SCHEMBL3579347 0.90 ECE1 (0.51) ECE1F10MAOB
SCHEMBL4656250 0.89 CACNA1H (0.49) ECE1F10MAOBMAPT
SCHEMBL4656151 0.88 PPARG (0.49) ECE1PPARGMAOBEPHX2
SCHEMBL4655386 0.88 ECE1 (0.51) ECE1PPARGF10MAOB
SCHEMBL4655266 0.87 ECE1 (0.56) ECE1F10MAOBMAPT
SCHEMBL4655390 0.87 MAOB (0.50) ECE1PPARGMAOBL3MBTL1
SCHEMBL4655262 0.86 ECE1 (0.51) ECE1PPARGMAOB
SCHEMBL4655397 0.86 MAOB (0.48) ECE1CNR1PPARGF10MAOB

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