SCHEMBL4600138

SCHEMBL4600138

Cc1cccnc1Cn1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
IDO1 P14902 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
F10 P00742 1/20 0.41
NTRK1 P04629 1/20 0.41
GPR35 Q9HC97 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL3612081 0.87 NOD2 (0.47) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15362104 0.84 CCR2 (0.53) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4631008 0.81 CCR2 (0.52) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600229 0.80 CCR2 (0.56) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599611 0.80 CCR2 (0.53) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599709 0.79 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15362067 0.79 GRIN1 (0.39) KDM4EALDH1A1IDO1GRIN1GRIN2B
SCHEMBL4599937 0.78 CCR2 (0.63) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599814 0.77 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600630 0.77 CCR2 (0.55) 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