SCHEMBL14934388

SCHEMBL14934388

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 13/20 0.69
▸ CYP3A4 P08684 10/20 0.69
▸ CYP2D6 P10635 9/20 0.69
▸ CYP1A2 P05177 8/20 0.69
▸ CYP2C19 P33261 7/20 0.69
▸ ALOX15 P16050 2/20 0.64
▸ CYP2C9 P11712 7/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HIF1A Q16665 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ EPHX2 P34913 1/20 0.57
▸ TSHR P16473 4/20 0.56
▸ GAA P10253 1/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL14934391 0.85 ALDH1A1 (0.60) USP2CYP3A4CYP1A2CYP2C19ALOX15
SCHEMBL14934392 0.81 USP2 (0.68) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL17101972 0.79 USP2 (1.00) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL14934529 0.78 EPHX2 (0.63) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL14934576 0.78 FAAH (0.67) USP2CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL23849996 0.76 ALDH1A1 (0.47) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL14934582 0.76 EPHX2 (0.63) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL14934475 0.76 EPHX2 (0.72) USP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL14934481 0.76 EPHX2 (0.69) USP2CYP3A4CYP1A2CYP2C9ALDH1A1
SCHEMBL2724878 0.75 TRPV1 (0.63) SMN1; SMN2EPHX2TRPM8TRPV1

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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