Sugi Predict

Sugi Predict / Compounds / SCHEMBL7675601

SCHEMBL7675601

SCHEMBL7675601

CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 1.00
▸ OPRM1 P35372 11/20 0.63
▸ OPRK1 P41145 9/20 0.63

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
SCHEMBL7664770 0.91 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL7671146 0.90 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL29352353 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1
SCHEMBL16635673 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1
SCHEMBL7668879 0.89 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL30345074 0.88 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL29846200 0.88 OPRD1 (0.87) OPRD1OPRM1OPRK1
SCHEMBL7664620 0.87 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL14611969 0.87 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL542838 0.87 OPRD1 (0.76) OPRD1OPRM1OPRK1

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-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 — — US disclosed