SCHEMBL4655262

SCHEMBL4655262

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 15/20 0.51
MAOB P27338 1/20 0.46
CCR9 P51686 1/20 0.42
ABCB1 P08183 1/20 0.41
PPARG P37231 2/20 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
SCHEMBL4656151 0.93 PPARG (0.49) ECE1MAOBPPARG
SCHEMBL3579347 0.91 ECE1 (0.51) ECE1MAOBABCB1
SCHEMBL4655386 0.89 ECE1 (0.51) ECE1MAOBPPARG
SCHEMBL4655293 0.89 ECE1 (0.46) ECE1CCR9PPARG
SCHEMBL4655390 0.89 MAOB (0.50) ECE1MAOBABCB1PPARG
SCHEMBL4655266 0.89 ECE1 (0.56) ECE1MAOB
SCHEMBL4655298 0.88 ECE1 (0.49) ECE1MAOBPPARG
SCHEMBL4655292 0.87 MAOB (0.50) ECE1MAOBPPARG
SCHEMBL4656155 0.87 PPARG (0.56) ECE1PPARG
SCHEMBL4656153 0.86 ECE1 (0.50) ECE1MAOBPPARG

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