SCHEMBL19669797

SCHEMBL19669797

CCCCOc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@](C[C@@H]4C(C)=O)([C@H](N(C)CC)C2)[C@@]31C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.40
OPRD1 P41143 13/20 0.40
OPRK1 P41145 12/20 0.40

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
SCHEMBL19669810 0.87 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL15493858 0.76 OPRK1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL15856859 0.76 OPRK1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL15856861 0.76 OPRK1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL18732542 0.74 OPRK1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL19669807 0.68 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL14075147 0.67 OPRK1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL19669804 0.66 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL19669813 0.66 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL19669799 0.66 OPRM1 (0.54) 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
US-9834562-B2 7 beta-substituted 6a, 14a-ethenomorphinans and 7beta-substituted 6a, 14a-ethanomorphinans RHODES TECHNOLOGIES (US) 2017-12-05 US disclosed