SCHEMBL7698708

SCHEMBL7698708

CNc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
EPHX2 P34913 11/20 0.48
PTGES O14684 2/20 0.45
DGAT1 O75907 3/20 0.43
NTRK1 P04629 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 3/20 0.42
HSD17B13 Q7Z5P4 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
SCHEMBL7699810 0.93 EPHX2 (0.45) CNR1CNR2EPHX2PTGESCYP2C9
SCHEMBL7693795 0.91 KDM4E (0.51) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7700054 0.89 NPC1 (0.50) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7693811 0.89 NPC1 (0.50) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7700947 0.89 KDM4E (0.47) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7700202 0.89 EPHX2 (0.52) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7699104 0.88 EPHX2 (0.50) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7705421 0.88 CNR1 (0.50) CNR1CNR2EPHX2PTGESNTRK1
SCHEMBL7695821 0.87 ECE1 (0.49) CNR1CNR2EPHX2PTGESDGAT1
SCHEMBL7693513 0.87 DGAT1 (0.48) CNR1CNR2EPHX2PTGESDGAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed