SCHEMBL4655342

SCHEMBL4655342

Cn1ccc2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 8/20 0.49
F10 P00742 4/20 0.48
CNR1 P21554 1/20 0.46
MAOB P27338 1/20 0.45
CCR2 P41597 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
ABCB1 P08183 1/20 0.42
PPARG P37231 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
SCHEMBL3579347 0.93 ECE1 (0.51) ECE1F10MAOBCCR2PTGDR2
SCHEMBL4655292 0.90 MAOB (0.50) ECE1F10CNR1MAOBCCR2
SCHEMBL4655386 0.88 ECE1 (0.51) ECE1F10MAOBCCR2PTGDR2
SCHEMBL4655390 0.87 MAOB (0.50) ECE1MAOBCCR2PTGDR2ABCB1
SCHEMBL4656230 0.87 ECE1 (0.60) ECE1F10MAOBCCR2PTGDR2
SCHEMBL4655266 0.87 ECE1 (0.56) ECE1F10MAOBPTGDR2
SCHEMBL4657644 0.87 ECE1 (0.52) ECE1CCR2PTGDR2
SCHEMBL4655305 0.86 ECE1 (0.46) ECE1MAOBCCR2PTGDR2
SCHEMBL4655303 0.86 ECE1 (0.49) ECE1F10MAOBCCR2ABCB1
SCHEMBL4655298 0.86 ECE1 (0.49) ECE1F10MAOBPPARG

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