SCHEMBL14934423

SCHEMBL14934423

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.59
▸ USP2 O75604 3/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP1A2 P05177 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TRPV1 Q8NER1 2/20 0.53
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NAMPT P43490 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ PAX8 Q06710 1/20 0.47

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
SCHEMBL14934570 0.87 EPHX2 (0.76) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934509 0.79 EPHX2 (0.63) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934356 0.79 EPHX2 (0.76) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934392 0.78 USP2 (0.68) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934436 0.78 EPHX2 (0.76) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934529 0.78 EPHX2 (0.63) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934582 0.78 EPHX2 (0.63) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934531 0.77 EPHX2 (0.57) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934416 0.77 EPHX2 (0.62) EPHX2USP2CYP2C9CYP1A2CYP3A4
SCHEMBL14934437 0.77 EPHX2 (0.67) EPHX2USP2CYP2C9CYP1A2CYP3A4

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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