SCHEMBL4655367

SCHEMBL4655367

CC(C)c1ccc2c(c1)cc(C(=O)Nc1ccc3c(ccn3C)c1)n2Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 14/20 0.47
MAOB P27338 1/20 0.46
F10 P00742 1/20 0.41
ABCB1 P08183 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39

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 0.91 ECE1 (0.51) ECE1MAOBF10ABCB1PTGDR2
SCHEMBL4655386 0.89 ECE1 (0.51) ECE1MAOBF10PTGDR2PPARG
SCHEMBL4655390 0.89 MAOB (0.50) ECE1MAOBABCB1PTGDR2PPARG
SCHEMBL4655266 0.89 ECE1 (0.56) ECE1MAOBF10PTGDR2KDM4E
SCHEMBL4655298 0.88 ECE1 (0.49) ECE1MAOBF10EPHX2PPARG
SCHEMBL4655292 0.87 MAOB (0.50) ECE1MAOBF10PTGDR2EPHX2
SCHEMBL4655329 0.86 ECE1 (0.49) ECE1MAOBF10ABCB1EPHX2
SCHEMBL4655262 0.86 ECE1 (0.51) ECE1MAOBABCB1PPARG
SCHEMBL4656151 0.86 PPARG (0.49) ECE1MAOBEPHX2PPARG
SCHEMBL4655369 0.86 ECE1 (0.49) ECE1MAOBF10PPARG

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