SCHEMBL4656308

SCHEMBL4656308

CC(C)n1ccc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 12/20 0.49
MAOB P27338 1/20 0.48
F10 P00742 3/20 0.47
PPARG P37231 1/20 0.42
CCR2 P41597 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ABCB1 P08183 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 0.88 ECE1 (0.51) ECE1MAOBF10CCR2ABCB1
SCHEMBL4655342 0.83 ECE1 (0.49) ECE1MAOBF10PPARGCCR2
SCHEMBL4655367 0.83 ECE1 (0.47) ECE1MAOBF10PPARGMAPT
SCHEMBL4656252 0.82 ECE1 (0.54) ECE1MAOBF10CCR2
SCHEMBL4655386 0.82 ECE1 (0.51) ECE1MAOBF10PPARGCCR2
SCHEMBL4655292 0.82 MAOB (0.50) ECE1MAOBF10PPARGCCR2
SCHEMBL4655266 0.82 ECE1 (0.56) ECE1MAOBF10MAPT
SCHEMBL4656230 0.82 ECE1 (0.60) ECE1MAOBF10CCR2MAPT
SCHEMBL4655390 0.82 MAOB (0.50) ECE1MAOBPPARGCCR2ABCB1
SCHEMBL3154837 0.81 ECE1 (0.49) ECE1MAOBF10CCR2MAPT

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