SCHEMBL14934539

SCHEMBL14934539

O=C(Nc1cccc(OCC(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 16/20 1.00
▸ CYP3A4 P08684 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ USP2 O75604 3/20 0.53
▸ CYP2C9 P11712 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL14934498 0.91 EPHX2 (1.00) EPHX2
SCHEMBL14934485 0.88 EPHX2 (0.82) EPHX2
SCHEMBL14934541 0.84 EPHX2 (1.00) EPHX2CYP3A4CYP1A2TSHRUSP2
SCHEMBL14934390 0.80 EPHX2 (1.00) EPHX2CYP3A4CYP1A2TSHRUSP2
SCHEMBL14934544 0.80 EPHX2 (1.00) EPHX2
SCHEMBL14934545 0.79 EPHX2 (1.00) EPHX2CYP3A4CYP1A2TSHRUSP2
SCHEMBL14934552 0.79 EPHX2 (0.80) EPHX2CYP3A4USP2CYP2C9
SCHEMBL14934516 0.79 EPHX2 (0.75) EPHX2CYP3A4CYP1A2TSHRUSP2
SCHEMBL14934538 0.77 EPHX2 (1.00) EPHX2CYP3A4CYP1A2TSHRUSP2
SCHEMBL14934503 0.77 EPHX2 (1.00) EPHX2CYP3A4CYP1A2TSHRUSP2

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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