SCHEMBL4599686

SCHEMBL4599686

O=C(O)c1cc2cc(F)ccc2n1CCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
CCR2 P41597 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLK1 P53350 1/20 0.48
HRH1 P35367 1/20 0.48
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
NTRK1 P04629 1/20 0.42
TBXA2R P21731 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL4600132 0.88 CCR2 (0.61) IDO1CCR2PTGDR2ALDH1A1KDM4E
SCHEMBL3566593 0.85 IDO1 (0.58) IDO1PTGDR2ALDH1A1KDM4EPLK1
SCHEMBL13802523 0.83 CCR2 (0.62) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3569668 0.79 KDM4E (0.53) IDO1PTGDR2ALDH1A1KDM4EPLK1
SCHEMBL4600433 0.79 ALDH1A1 (0.51) IDO1CCR2ALDH1A1KDM4EHPGD
SCHEMBL15362101 0.77 IDO1 (0.51) IDO1PTGDR2KDM4EPLK1HRH1
SCHEMBL2895007 0.76 CCR2 (0.70) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7423858 0.76 CCR2 (0.74) IDO1CCR2ALDH1A1NTRK1CYP1A2
SCHEMBL3114034 0.75 CCR2 (0.53) IDO1CCR2ALDH1A1KDM4EHPGD
SCHEMBL12466547 0.75 ALDH1A1 (0.66) IDO1CCR2PTGDR2ALDH1A1KDM4E

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 7 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
US-20080217941-A1 Active material enabled self-presenting devices GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2008-09-11 US 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