SCHEMBL4320489

SCHEMBL4320489

O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@]1(c2ncccc2C(F)(F)F)C2CNC[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 14/20 0.49
▸ P2RY1 P47900 1/20 0.43
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL4320186 0.79 GAA (0.42) TRPV1
SCHEMBL2723660 0.69 TRPV1 (0.79) TRPV1
SCHEMBL4327380 0.67 TRPV1 (0.73) TRPV1
SCHEMBL4327376 0.67 TRPV1 (0.73) TRPV1
SCHEMBL4012359 0.66 TRPV1 (1.00) TRPV1
SCHEMBL20379672 0.65 NPC1 (0.72) NAMPT
SCHEMBL15467437 0.64 TRPM8 (0.46) TRPV1P2RY1NAMPT
SCHEMBL28729179 0.64 EPHX2 (1.00) NAMPT
SCHEMBL11003408 0.64 EPHX2 (1.00) NAMPT
SCHEMBL17542180 0.63 EPHX2 (0.59) NAMPT

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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