SCHEMBL14934508

SCHEMBL14934508

N#Cc1ccc(CC(=O)N2CCC3(CC2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.57
▸ USP2 O75604 8/20 0.51
▸ CYP3A4 P08684 6/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ TSHR P16473 4/20 0.51
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HIF1A Q16665 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL14934577 0.80 EPHX2 (0.65) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934437 0.80 EPHX2 (0.67) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934533 0.78 EPHX2 (0.60) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934369 0.78 EPHX2 (0.76) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934365 0.78 EPHX2 (0.59) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934419 0.77 EPHX2 (0.63) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934358 0.76 EPHX2 (0.60) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL25153766 0.76 EPHX2 (0.62) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL25153780 0.76 EPHX2 (0.62) EPHX2USP2CYP3A4CYP1A2TSHR
SCHEMBL14934433 0.76 EPHX2 (0.65) 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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