SCHEMBL14934541

SCHEMBL14934541

O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 1.00
▸ USP2 O75604 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ CYP1A2 P05177 4/20 0.63
▸ CYP2C9 P11712 2/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ TSHR P16473 2/20 0.59

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
SCHEMBL14934390 0.89 EPHX2 (1.00) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL15171035 0.86 EPHX2 (0.92) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934478 0.85 EPHX2 (0.92) EPHX2USP2CYP3A4CYP1A2CYP2C9
SCHEMBL14934485 0.85 EPHX2 (0.82) EPHX2
SCHEMBL14934539 0.84 EPHX2 (1.00) EPHX2USP2CYP3A4CYP1A2CYP2C9
SCHEMBL14934545 0.84 EPHX2 (1.00) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934580 0.83 EPHX2 (0.86) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934386 0.83 EPHX2 (0.88) EPHX2USP2CYP3A4CYP1A2CYP2C9
SCHEMBL14934547 0.82 EPHX2 (0.82) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934503 0.82 EPHX2 (1.00) 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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