SCHEMBL4655307

SCHEMBL4655307

Cc1c(C)n(C)c2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.49
F10 P00742 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL4656252 0.86 ECE1 (0.54) ECE1F10PTGDR2CCR2
SCHEMBL3153127 0.84 RAB9A (0.60) ECE1F10PTGDR2MAPT
SCHEMBL3579347 0.82 ECE1 (0.51) ECE1F10PTGDR2CCR2
SCHEMBL4655342 0.81 ECE1 (0.49) ECE1F10PTGDR2CCR2
SCHEMBL3156857 0.81 ECE1 (0.50) ECE1F10PTGDR2MAPTALDH1A1
SCHEMBL3150066 0.80 NPC1 (0.52) ECE1F10PTGDR2MAPTTP53
SCHEMBL4145769 0.80 ECE1 (0.51) ECE1F10PTGDR2ALDH1A1CCR2
SCHEMBL975576 0.79 ECE1 (0.47) ECE1F10PTGDR2CCR2
SCHEMBL973614 0.79 ECE1 (0.47) ECE1F10PTGDR2MAPK1CCR2
SCHEMBL3158981 0.79 ECE1 (0.47) ECE1F10PTGDR2TP53CCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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