SCHEMBL4656147

SCHEMBL4656147

Cn1ccc2cc(NC(=O)c3cc4cc(F)ccc4n3CCCc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 11/20 0.55
PTGDR2 Q9Y5Y4 4/20 0.47
CNR2 P34972 1/20 0.45
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4656256 0.94 ECE1 (0.62) ECE1PTGDR2CNR2NOTUMALDH1A1
SCHEMBL4657644 0.90 ECE1 (0.52) ECE1PTGDR2NOTUM
SCHEMBL4655406 0.89 ECE1 (0.54) ECE1PTGDR2NOTUMALDH1A1TSHR
SCHEMBL4655358 0.88 ECE1 (0.54) ECE1PTGDR2NOTUMALDH1A1TSHR
SCHEMBL4655399 0.85 ECE1 (0.53) ECE1PTGDR2
SCHEMBL3579347 0.85 ECE1 (0.51) ECE1PTGDR2NOTUM
SCHEMBL3569668 0.84 KDM4E (0.53) ECE1PTGDR2NOTUMALDH1A1TSHR
SCHEMBL4656519 0.84 ECE1 (0.54) ECE1PTGDR2NOTUM
SCHEMBL4655305 0.84 ECE1 (0.46) ECE1PTGDR2NOTUM
SCHEMBL4655387 0.83 ECE1 (0.51) ECE1

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