SCHEMBL20170619

SCHEMBL20170619

CCCCNC1C(C)c2c(/C=C/C(=O)OC)cc(OC)c(O)c2[C@]2(CC)CC(=O)CCC12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
ALOX5 P09917 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL20170756 0.78 TRPV1 (0.34) TRPV1ALOX5BCHE
SCHEMBL18473570 0.73 GAA (0.32)
SCHEMBL21202074 0.70 GAA (0.47) TRPV1
SCHEMBL20170851 0.68 GAA (0.34)
SCHEMBL22058061 0.65 GAA (0.41)
SCHEMBL12646160 0.63 OPRM1 (0.48)
SCHEMBL22058059 0.63 OPRM1 (0.48)
SCHEMBL20170594 0.63 OPRM1 (0.33) TRPV1
SCHEMBL20170689 0.60 GAA (0.36)
SCHEMBL21091301 0.60 GAA (0.52)

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
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed