SCHEMBL4631008

SCHEMBL4631008

O=C(O)c1cc2cc(F)ccc2n1Cc1nccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.52
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FDPS P14324 2/20 0.43
NTRK1 P04629 2/20 0.42
GPR35 Q9HC97 1/20 0.42
F10 P00742 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
F2 P00734 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
SCHEMBL3620888 0.86 NOD2 (0.50) KDM4EALDH1A1HPGDHSD17B10F10
SCHEMBL3283197 0.81 CCR2 (0.56) CCR2MCL1KDM4EALDH1A1HPGD
SCHEMBL4600138 0.81 CCR2 (0.53) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600229 0.79 CCR2 (0.56) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15361958 0.78 HPGD (0.36) KDM4EALDH1A1HPGDHSD17B10NTRK1
SCHEMBL4599842 0.77 CCR2 (0.59) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599709 0.76 CCR2 (0.55) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599937 0.75 CCR2 (0.63) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4613716 0.75 CCR2 (0.54) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2895007 0.75 CCR2 (0.70) 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