SCHEMBL8207355

SCHEMBL8207355

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

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.73
OPRM1 P35372 17/20 0.68
OPRK1 P41145 15/20 0.68

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
SCHEMBL8207357 1.00 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL8206416 0.98 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8206414 0.98 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8200451 0.97 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL6863247 0.97 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL6863243 0.97 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL8200458 0.97 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL6859160 0.93 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL6859164 0.93 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8200039 0.93 OPRD1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 US disclosed
EP-0960111-A1 MORPHINE DERIVATIVES WITH ANALGESIC ACTIVITY NYCOMED IMAGING AS (NO) 1999-12-01 EP disclosed
WO-1997022606-A1 MORPHINE DERIVATIVES WITH ANALGESIC ACTIVITY NYCOMED IMAGING AS (NO) 1997-06-26 WO disclosed