SCHEMBL4319129

SCHEMBL4319129

NC(=O)N(c1ccc(C(F)(F)F)cc1)[C@H]1C2CN(c3ncccc3C(F)(F)F)C[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.52
▸ HSD11B1 P28845 3/20 0.46
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL13783793 0.78 TRPV1 (0.52) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4776367 0.77 TRPV1 (0.43) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4319338 0.77 TRPV1 (0.48) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4327376 0.76 TRPV1 (0.73) TRPV1
SCHEMBL4327380 0.76 TRPV1 (0.73) TRPV1
SCHEMBL4320157 0.73 EPHX2 (0.56) TRPV1HSD11B1GAA
SCHEMBL14973800 0.70 EPHX2 (0.59) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4482959 0.70 EPHX2 (0.59) TRPV1HSD11B1GAA
SCHEMBL6988200 0.67 HSD11B1 (0.70) TRPV1HSD11B1GAA
SCHEMBL26087182 0.67 TRPV1 (0.67) TRPV1HSD11B1GAA

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
Send feedback