SCHEMBL6772954

SCHEMBL6772954

COc1cccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 18/20 0.78
▸ HSP90AB1 P08238 1/20 0.56
▸ OPRK1 P41145 4/20 0.55
▸ OPRD1 P41143 3/20 0.55
▸ TP53 P04637 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
SCHEMBL6771820 0.86 OPRM1 (0.75) OPRM1HSP90AB1OPRK1OPRD1
SCHEMBL6767112 0.86 OPRM1 (0.58) OPRM1HSP90AB1TP53
SCHEMBL6777174 0.86 OPRM1 (0.58) OPRM1HSP90AB1TP53
SCHEMBL6771516 0.86 OPRM1 (0.58) OPRM1HSP90AB1TP53
SCHEMBL6163702 0.85 OPRM1 (0.62) OPRM1HSP90AB1OPRK1OPRD1
SCHEMBL6166305 0.84 OPRM1 (0.76) OPRM1OPRK1OPRD1
SCHEMBL6770581 0.84 ALDH1A1 (0.62) OPRM1HSP90AB1TP53
SCHEMBL6769486 0.83 OPRM1 (0.55) OPRM1HSP90AB1TP53
SCHEMBL6164762 0.82 OPRM1 (0.59) OPRM1HSP90AB1OPRK1OPRD1
SCHEMBL6770366 0.81 SRC (0.56) OPRM1

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 — — US disclosed
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