SCHEMBL20170699

SCHEMBL20170699

C=CCN[C@H]1Cc2ccc(O)c3c2C2[C@H](O3)C(=O)CC[C@@]21OC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41

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
SCHEMBL10050971 0.76 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL20170797 0.75 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL20170720 0.75 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL13825005 0.74 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL12831142 0.74 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL13248810 0.74 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL12091332 0.74 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL16541860 0.71 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL14161044 0.70 OPRK1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL20170766 0.70 OPRK1 (0.53) 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