SCHEMBL20170828

SCHEMBL20170828

C=CCN[C@H]1Cc2ccc(O)c3c2C2(C)[C@H](O3)C(O)CC[C@]12OC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.49
OPRD1 P41143 19/20 0.49
OPRK1 P41145 19/20 0.49

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
SCHEMBL20170797 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL20170720 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL20170658 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL13506887 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL13575428 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL20170791 0.72 OPRM1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL20170741 0.72 OPRM1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL20170615 0.71 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL20170766 0.70 OPRK1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL21741093 0.69 OPRM1 (0.39) OPRM1OPRD1OPRK1

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