SCHEMBL8208005

SCHEMBL8208005

COCOc1ccc2c3c1O[C@H]1[C@@H](OC(=O)Cc4ccccc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.61
OPRK1 P41145 15/20 0.61
OPRD1 P41143 12/20 0.61

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
SCHEMBL8200382 0.93 OPRM1 (0.59) OPRM1OPRK1OPRD1
SCHEMBL8206604 0.93 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8210580 0.92 OPRM1 (0.59) OPRM1OPRK1OPRD1
SCHEMBL8206994 0.92 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL8207223 0.92 OPRM1 (0.56) OPRM1OPRK1OPRD1
SCHEMBL8206736 0.91 OPRM1 (0.63) OPRM1OPRK1OPRD1
SCHEMBL8504755 0.91 OPRM1 (0.63) OPRM1OPRK1OPRD1
SCHEMBL8206821 0.90 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8206819 0.90 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8212711 0.90 OPRM1 (0.58) 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-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 US disclosed