SCHEMBL14934446

SCHEMBL14934446

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3cccc4ncccc34)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.79
▸ TRPV1 Q8NER1 5/20 0.54
▸ USP2 O75604 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C9 P11712 1/20 0.49
▸ RORC P51449 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
SCHEMBL14934430 0.94 EPHX2 (0.70) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934474 0.90 EPHX2 (0.65) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934524 0.89 EPHX2 (1.00) EPHX2TRPV1
SCHEMBL14934435 0.86 EPHX2 (0.64) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934568 0.86 EPHX2 (0.63) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934408 0.86 EPHX2 (0.63) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934575 0.82 EPHX2 (0.66) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934571 0.81 EPHX2 (0.64) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934434 0.81 EPHX2 (0.59) EPHX2TRPV1USP2CYP1A2CYP3A4
SCHEMBL14934396 0.81 EPHX2 (0.64) 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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