SCHEMBL6863447

SCHEMBL6863447

CCOC(=O)CCCCCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(C)=O)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.65
OPRM1 P35372 17/20 0.61
OPRK1 P41145 15/20 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
SCHEMBL6863448 1.00 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL8207217 0.99 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL8207213 0.99 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL8210711 0.93 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL6865918 0.92 OPRD1 (0.68) OPRD1OPRM1OPRK1
SCHEMBL6865912 0.92 OPRD1 (0.68) OPRD1OPRM1OPRK1
SCHEMBL8212736 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL8199378 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL8199379 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL8212734 0.91 OPRD1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960111-B1 MORPHINE DERIVATIVES WITH ANALGESIC ACTIVITY CENES LTD (GB) 2004-11-24 EP disclosed
US-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 US disclosed