SCHEMBL4776367

SCHEMBL4776367

NC(=O)N(c1cccc2cnccc12)C1C2CN(c3ncccc3C(F)(F)F)CC21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.43
▸ HSD11B1 P28845 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ RBP4 P02753 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4319129 0.77 TRPV1 (0.52) TRPV1HSD11B1GAAHCRTR1HCRTR2
SCHEMBL4319338 0.73 TRPV1 (0.48) TRPV1HSD11B1GAANPC1RAB9A
SCHEMBL13783793 0.72 TRPV1 (0.52) TRPV1HSD11B1GAADPP4DPP7
SCHEMBL4320157 0.68 EPHX2 (0.56) TRPV1HSD11B1GAAHSD17B10NPC1
SCHEMBL4777964 0.66 TRPV1 (0.47) TRPV1
SCHEMBL4776094 0.65 NPSR1 (0.49) TRPV1HSD11B1NPSR1HSD17B10
SCHEMBL14973800 0.65 EPHX2 (0.59) TRPV1HSD11B1GAAHSD17B10HCRTR1
SCHEMBL4482959 0.65 EPHX2 (0.59) TRPV1HSD11B1GAAHSD17B10NPC1
SCHEMBL1985540 0.64 KDM4C (0.41) TRPV1
SCHEMBL4778071 0.63 CCNE1 (0.46) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 — — WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 — — WO disclosed
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