SCHEMBL14934567

SCHEMBL14934567

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)C3CCOC3)CC2)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.78
▸ NAMPT P43490 3/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ USP2 O75604 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL14934515 0.87 EPHX2 (1.00) EPHX2
SCHEMBL14934356 0.85 EPHX2 (0.76) EPHX2CNR2USP2CYP2C9CYP1A2
SCHEMBL14934436 0.85 EPHX2 (0.76) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934509 0.84 EPHX2 (0.63) EPHX2CNR2USP2CYP2C9CYP1A2
SCHEMBL14934581 0.82 EPHX2 (0.57) EPHX2NAMPTUSP2CYP1A2CYP3A4
SCHEMBL14934514 0.81 EPHX2 (1.00) EPHX2
SCHEMBL14934531 0.80 EPHX2 (0.57) EPHX2NAMPTUSP2CYP2C9CYP1A2
SCHEMBL14934570 0.79 EPHX2 (0.76) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL10253332 0.79 CNR2 (0.80) EPHX2NAMPTCNR2
SCHEMBL17130471 0.78 EPHX2 (1.00) EPHX2

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-2013065712-A1 DIAZASPIROUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 (JP) 2013-05-10 — — WO disclosed
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