SCHEMBL19978017

SCHEMBL19978017

COc1cc(C)c(Cc2ccc3c(c2)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2C)CCN3)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.76
OPRD1 P41143 1/20 0.66

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
SCHEMBL19969900 0.92 OPRK1 (0.77) OPRK1OPRD1
SCHEMBL19969913 0.92 OPRK1 (0.77) OPRK1OPRD1
SCHEMBL19978016 0.90 OPRK1 (0.82) OPRK1OPRD1
SCHEMBL19978018 0.89 OPRK1 (0.92) OPRK1OPRD1
SCHEMBL19969914 0.86 OPRK1 (0.86) OPRK1OPRD1
SCHEMBL19969901 0.86 OPRK1 (0.86) OPRK1OPRD1
SCHEMBL19969905 0.85 OPRK1 (0.83) OPRK1OPRD1
SCHEMBL19969768 0.85 OPRK1 (0.83) OPRK1OPRD1
SCHEMBL19978081 0.84 OPRK1 (0.68) OPRK1OPRD1
SCHEMBL19962631 0.83 OPRK1 (0.82) 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