SCHEMBL4600229

SCHEMBL4600229

O=C(O)c1cc2cc(F)ccc2n1Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.56
NTRK1 P04629 2/20 0.55
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRIN1 Q05586 3/20 0.46
GRIN2B Q13224 3/20 0.46
GPR35 Q9HC97 1/20 0.45
LMNA P02545 1/20 0.45
GFER P55789 1/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 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
SCHEMBL30622510 0.86 CCR2 (0.55) CCR2NTRK1GPR35
SCHEMBL20604983 0.86 CCR2 (0.65) CCR2NTRK1ALDH1A1GPR35
SCHEMBL30622493 0.86 CCR2 (0.65) CCR2NTRK1ALDH1A1GPR35
SCHEMBL31300732 0.85 GPR35 (0.48) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600098 0.84 CCR2 (0.55) CCR2NTRK1KDM4EALDH1A1HPGD
SCHEMBL4599709 0.84 CCR2 (0.55) CCR2NTRK1KDM4EALDH1A1HPGD
SCHEMBL4600347 0.84 CCR2 (0.55) CCR2NTRK1KDM4EALDH1A1HPGD
SCHEMBL3615699 0.84 NOD2 (0.51) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15361967 0.82 CCR2 (0.53) CCR2NTRK1KDM4EALDH1A1HPGD
SCHEMBL30547723 0.82 CCR2 (0.45) CCR2GPR35

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