SCHEMBL4600347

SCHEMBL4600347

O=C(O)c1cc2cc(F)ccc2n1Cc1ccncn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.55
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
NTRK1 P04629 2/20 0.40
ABCB11 O95342 1/20 0.40
IDO1 P14902 1/20 0.39
CCR9 P51686 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
SCHEMBL3566109 0.85 NOD2 (0.45) CCR2KDM4EALDH1A1HPGDGRIN1
SCHEMBL4600229 0.84 CCR2 (0.56) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600098 0.83 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2895007 0.83 CCR2 (0.70) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600630 0.81 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599709 0.81 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3563638 0.79 MAOB (0.44) KDM4E
SCHEMBL4600448 0.78 CCR2 (0.54) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15361967 0.77 CCR2 (0.53) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15361976 0.76 GRIN1 (0.40) KDM4EALDH1A1HPGDGRIN1GRIN2B

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 6 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
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP disclosed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP disclosed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO disclosed