SCHEMBL4319481

SCHEMBL4319481

O=C(Nc1ccc([N+](=O)[O-])cn1)N[C@H]1[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.53
▸ HSD11B1 P28845 1/20 0.47
▸ GAA P10253 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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 1.00 TRPV1 (0.53) TRPV1HSD11B1GAACYP1A2SMN1; SMN2
SCHEMBL4319338 0.78 TRPV1 (0.48) TRPV1HSD11B1GAA
SCHEMBL4327380 0.77 TRPV1 (0.73) TRPV1
SCHEMBL4327376 0.77 TRPV1 (0.73) TRPV1
SCHEMBL4321219 0.75 ALDH1A1 (0.46) GAACYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL4321217 0.75 ALDH1A1 (0.46) GAACYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL13783793 0.75 TRPV1 (0.52) TRPV1HSD11B1GAA
SCHEMBL4320186 0.73 GAA (0.42) TRPV1GAACYP1A2SMN1; SMN2MEN1
SCHEMBL4461101 0.72 TSHR (0.47) TRPV1HSD11B1GAAMAPT
SCHEMBL4461106 0.72 TSHR (0.47) TRPV1HSD11B1GAAMAPT

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 claimed
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