SCHEMBL4600630

SCHEMBL4600630

Cc1ccc(Cn2c(C(=O)O)cc3cc(F)ccc32)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GPR35 Q9HC97 2/20 0.47
CCR9 P51686 4/20 0.42
F10 P00742 1/20 0.40
ABCB11 O95342 1/20 0.40
IDO1 P14902 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
SCHEMBL3619345 0.86 NOD2 (0.52) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599709 0.86 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30790920 0.84 CCR2 (0.60) CCR2ALDH1A1GPR35CCR9
SCHEMBL4599022 0.83 CCR2 (0.58) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600448 0.82 CCR2 (0.54) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600229 0.82 CCR2 (0.56) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599814 0.81 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600098 0.81 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600347 0.81 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3114834 0.80 ALDH1A1 (0.50) CCR2KDM4EALDH1A1HPGDHSD17B10

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-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP claimed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP claimed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO claimed