SCHEMBL19669799

SCHEMBL19669799

CO[C@]12C=C[C@@]3(C[C@H]1C(C)=O)[C@@H]1CCCC34c3c(ccc(OCc5ccccc5)c3O[C@H]42)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.54
OPRK1 P41145 15/20 0.54
OPRD1 P41143 13/20 0.54

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
SCHEMBL19669798 1.00 OPRM1 (0.54) OPRM1OPRK1OPRD1
SCHEMBL19669813 1.00 OPRM1 (0.54) OPRM1OPRK1OPRD1
SCHEMBL19669804 1.00 OPRM1 (0.54) OPRM1OPRK1OPRD1
SCHEMBL25095653 0.88 OPRM1 (0.58) OPRM1OPRK1OPRD1
SCHEMBL25095644 0.88 OPRM1 (0.58) OPRM1OPRK1OPRD1
SCHEMBL17557900 0.86 OPRK1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL17557899 0.86 OPRK1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL21228137 0.86 OPRK1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL21228401 0.86 OPRK1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL17557898 0.86 OPRK1 (0.62) OPRM1OPRK1OPRD1

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