SCHEMBL19978081

SCHEMBL19978081

COc1ccc2c(c1)CC(Cc1ccc3c(c1)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1C)CCN3)C2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.68
OPRD1 P41143 1/20 0.53

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
SCHEMBL19969865 0.91 OPRK1 (0.82) OPRK1OPRD1
SCHEMBL19969613 0.91 OPRK1 (0.82) OPRK1OPRD1
SCHEMBL19962581 0.88 OPRK1 (0.73) OPRK1OPRD1
SCHEMBL19962439 0.88 OPRK1 (0.73) OPRK1OPRD1
SCHEMBL19969617 0.86 OPRK1 (0.88) OPRK1OPRD1
SCHEMBL19969861 0.86 OPRK1 (0.88) OPRK1OPRD1
SCHEMBL19978016 0.84 OPRK1 (0.82) OPRK1OPRD1
SCHEMBL19962441 0.84 OPRK1 (0.81) OPRK1OPRD1
SCHEMBL19962582 0.84 OPRK1 (0.81) OPRK1OPRD1
SCHEMBL19978017 0.84 OPRK1 (0.76) OPRK1OPRD1

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
WO-2018053240-A1 PEPTIDOMIMETICS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-22 WO disclosed