SCHEMBL14934419

SCHEMBL14934419

O=C(CCc1ccccc1)N1CCC2(CC1)CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.63
▸ USP2 O75604 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ FAAH O00519 1/20 0.51
▸ PRKAB2 O43741 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PRKAG3 Q9UGI9 1/20 0.50
▸ PRKAG2 Q9UGJ0 1/20 0.50
▸ PRKAB1 Q9Y478 1/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL14934533 0.91 EPHX2 (0.60) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934358 0.86 EPHX2 (0.60) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934422 0.84 EPHX2 (0.55) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934355 0.83 EPHX2 (0.60) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934577 0.83 EPHX2 (0.65) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934441 0.82 FAAH (0.63) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934576 0.81 FAAH (0.67) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934369 0.80 EPHX2 (0.76) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934365 0.80 EPHX2 (0.59) EPHX2USP2CYP1A2CYP3A4TSHR
SCHEMBL14934392 0.80 USP2 (0.68) EPHX2USP2CYP1A2CYP3A4TSHR

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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