SCHEMBL3110734

SCHEMBL3110734

O=C(O)c1cc2cc(F)ccc2n1CCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR2 P41597 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MCL1 Q07820 1/20 0.41
CCR9 P51686 2/20 0.39
LIPE Q05469 1/20 0.39
CHRNA7 P36544 1/20 0.38
SCN9A Q15858 2/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
ABCB11 O95342 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL829865 0.88 PTGDR2 (0.41) NTRK1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL3114834 0.86 ALDH1A1 (0.50) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL832122 0.77 MEN1 (0.41) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL3110739 0.77 NTRK1 (0.47) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL830576 0.76 NOD2 (0.45) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21647634 0.75 ALDH1A1 (0.61) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4217582 0.74 CCR2 (0.70) KDM4EALDH1A1HPGDHSD17B10CCR2
SCHEMBL3114034 0.71 CCR2 (0.53) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12466547 0.71 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10CCR2
SCHEMBL21647472 0.70 KDM4E (0.51) NTRK1KDM4EALDH1A1HPGDHSD17B10

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-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO disclosed