SCHEMBL4320186

SCHEMBL4320186

O=C(Nc1ccc([N+](=O)[O-])cn1)N[C@@]1(c2ncccc2C(F)(F)F)C2CNC[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TRPV1 Q8NER1 3/20 0.41
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 7/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SSTR4 P31391 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
SCHEMBL4320489 0.79 TRPV1 (0.49) TRPV1
SCHEMBL4319487 0.73 TRPV1 (0.53) GAACYP1A2SMN1; SMN2TRPV1MAPT
SCHEMBL4319481 0.73 TRPV1 (0.53) GAACYP1A2SMN1; SMN2TRPV1MAPT
SCHEMBL30354938 0.69 MAPT (0.55) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL29151334 0.69 MAPT (0.55) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL6814707 0.68 CYP1A2 (0.66) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL10421628 0.66 CYP1A2 (0.62) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL477396 0.65 CYP1A2 (0.73) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL477394 0.65 CYP1A2 (0.73) GAACYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL30354788 0.65 GAA (0.64) GAACYP1A2SMN1; SMN2MAPTMEN1

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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