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SCHEMBL14934369

SCHEMBL14934369

O=C(CC1CC1)N1CCC2(CC1)CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 15/20 0.76
▸ CNR2 P34972 1/20 0.53
▸ USP2 O75604 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 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
SCHEMBL14934472 0.86 EPHX2 (1.00) EPHX2
SCHEMBL15171048 0.86 EPHX2 (1.00) EPHX2
SCHEMBL14934577 0.85 EPHX2 (0.65) EPHX2USP2CYP3A4TSHRCYP1A2
SCHEMBL25153780 0.83 EPHX2 (0.62) EPHX2USP2CYP3A4TSHRCYP1A2
SCHEMBL10253779 0.81 CNR2 (0.79) EPHX2CNR2
SCHEMBL25153766 0.81 EPHX2 (0.62) EPHX2USP2CYP3A4TSHRCYP1A2
SCHEMBL14934437 0.81 EPHX2 (0.67) EPHX2USP2CYP3A4TSHRCYP1A2
SCHEMBL14934356 0.80 EPHX2 (0.76) EPHX2CNR2USP2CYP3A4TSHR
SCHEMBL14934419 0.80 EPHX2 (0.63) EPHX2USP2CYP3A4TSHRCYP1A2
SCHEMBL14934362 0.80 EPHX2 (0.76) EPHX2USP2CYP3A4TSHRCYP1A2

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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