SCHEMBL4319338

SCHEMBL4319338

NC(=O)N(c1ccc([N+](=O)[O-])cn1)[C@H]1C2CN(c3ncccc3C(F)(F)F)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.48
▸ HSD11B1 P28845 3/20 0.46
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ RBP4 P02753 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL4319487 0.78 TRPV1 (0.53) TRPV1HSD11B1GAA
SCHEMBL4319481 0.78 TRPV1 (0.53) TRPV1HSD11B1GAA
SCHEMBL4319129 0.77 TRPV1 (0.52) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4776367 0.73 TRPV1 (0.43) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL13783793 0.72 TRPV1 (0.52) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4320157 0.68 EPHX2 (0.56) TRPV1HSD11B1GAANPC1RAB9A
SCHEMBL4482959 0.65 EPHX2 (0.59) TRPV1HSD11B1GAANPC1RAB9A
SCHEMBL14973800 0.65 EPHX2 (0.59) TRPV1HSD11B1HCRTR1HCRTR2GAA
SCHEMBL4274909 0.63 TRPV1 (0.80) TRPV1GAACA12CA1CA2
SCHEMBL1336559 0.62 RBP4 (0.43) TRPV1HSD11B1HCRTR1HCRTR2GAA

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
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