SCHEMBL4320157

SCHEMBL4320157

NC1C2CN(c3ncccc3C(F)(F)F)CC12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
HSD11B1 P28845 11/20 0.52
TRPV1 Q8NER1 2/20 0.47
GAA P10253 2/20 0.46
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RBP4 P02753 2/20 0.44

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
SCHEMBL4482959 0.88 EPHX2 (0.59) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL14973800 0.81 EPHX2 (0.59) EPHX2HSD11B1TRPV1GAAMAPT
SCHEMBL13783793 0.80 TRPV1 (0.52) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL3818669 0.79 EPHX2 (0.57) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL3818667 0.79 EPHX2 (0.57) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL25154314 0.79 EPHX2 (0.56) EPHX2HSD11B1TRPV1GAARBP4
SCHEMBL25154349 0.79 EPHX2 (0.56) EPHX2HSD11B1TRPV1GAARBP4
SCHEMBL1349136 0.79 EPHX2 (0.64) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL4635199 0.76 HSD11B1 (0.46) HSD11B1TRPV1DPP4
SCHEMBL4778176 0.76 MALT1 (0.34) HSD11B1TRPV1

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed