SCHEMBL4655319

SCHEMBL4655319

COc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.67
PPARG P37231 6/20 0.57
CCR9 P51686 2/20 0.55

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
SCHEMBL4198698 0.88 CCR2 (0.71) CCR2CCR9
SCHEMBL3578136 0.88 PPARG (0.54) CCR2PPARG
SCHEMBL3956751 0.88 CCR2 (0.84) CCR2CCR9
SCHEMBL6308312 0.86 CCR9 (0.55) CCR2PPARGCCR9
SCHEMBL9536869 0.85 CCR2 (0.76) CCR2CCR9
SCHEMBL6300893 0.84 CCR2 (0.63) CCR2PPARGCCR9
SCHEMBL3198946 0.84 CCR2 (0.71) CCR2PPARGCCR9
SCHEMBL6599972 0.84 PPARG (0.68) CCR2PPARGCCR9
SCHEMBL940279 0.84 CCR2 (0.59) CCR2PPARGCCR9
SCHEMBL3718258 0.84 CCR2 (0.67) CCR2PPARGCCR9

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 3 patents. 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 disclosed
EP-1776340-A1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2007-04-25 EP disclosed
WO-2006024776-A1 N(1 H-INDOLYL)-1 H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-03-09 WO disclosed