SCHEMBL14934528

SCHEMBL14934528

O=C(/C=C/c1cccs1)N1CCC2(CC1)CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.59
▸ USP2 O75604 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL14934527 0.86 EPHX2 (0.61) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934353 0.83 EPHX2 (0.57) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934401 0.82 EPHX2 (0.69) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934437 0.77 EPHX2 (0.67) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934363 0.76 EPHX2 (0.66) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934362 0.76 EPHX2 (0.76) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934587 0.75 EPHX2 (0.63) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934577 0.75 EPHX2 (0.65) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934390 0.74 EPHX2 (1.00) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934392 0.74 USP2 (0.68) EPHX2USP2CYP3A4CYP1A2TSHR

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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