SCHEMBL8199437

SCHEMBL8199437

COCCC(=O)OC1C=C[C@H]2[C@H]3Cc4ccc(OC(C)=O)c5c4[C@@]2(CCN3C)C1O5

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.72
OPRM1 P35372 17/20 0.65
OPRK1 P41145 15/20 0.65

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
SCHEMBL8199432 1.00 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8207260 0.94 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8207258 0.94 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8212822 0.93 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL8212820 0.93 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL8207264 0.92 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL8207268 0.92 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL8210710 0.92 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL21063282 0.91 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL30789045 0.91 OPRD1 (0.75) 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-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 US disclosed