SCHEMBL13316634

SCHEMBL13316634

COC[C@H](C)NC(=O)Nc1cccc2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.61
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL3576276 0.84 TRPV1 (0.55) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13316530 0.83 TRPV1 (0.54) TRPV1LMNA
SCHEMBL3572529 0.82 TRPV1 (0.62) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3572064 0.82 TRPV1 (0.52) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3575477 0.82 TRPV1 (0.52) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3574870 0.82 TRPV1 (0.53) TRPV1
SCHEMBL13316529 0.82 TRPV1 (0.52) TRPV1LMNA
SCHEMBL3567952 0.81 TRPV1 (0.52) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6581194 0.80 TRPV1 (0.68) TRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13316531 0.80 TRPV1 (0.51) TRPV1LMNA

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
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed