SCHEMBL20170762

SCHEMBL20170762

C[C@@]12c3c4ccc(O)c3OC1C(NCCO)CC[C@]2(O)[C@@H](NCC1CC1)C4

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.45
OPRM1 P35372 13/20 0.45
OPRK1 P41145 11/20 0.45

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
SCHEMBL20170789 0.92 OPRD1 (0.45) OPRD1OPRM1OPRK1
SCHEMBL20170791 0.87 OPRM1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL20170741 0.87 OPRM1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL20170870 0.86 OPRD1 (0.38) OPRD1OPRM1OPRK1
SCHEMBL20170615 0.83 OPRM1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL20170837 0.80 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL20170751 0.80 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL20170786 0.80 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL20170852 0.77 OPRM1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL13507285 0.76 OPRM1 (0.50) OPRD1OPRM1OPRK1

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