SCHEMBL6863343

SCHEMBL6863343

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.68
OPRK1 P41145 17/20 0.68
OPRD1 P41143 12/20 0.64

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
SCHEMBL6863348 1.00 OPRM1 (0.68) OPRM1OPRK1OPRD1
SCHEMBL6863304 0.98 OPRM1 (0.68) OPRM1OPRK1OPRD1
SCHEMBL6863300 0.98 OPRM1 (0.68) OPRM1OPRK1OPRD1
SCHEMBL8506310 0.98 OPRM1 (0.68) OPRM1OPRK1OPRD1
SCHEMBL8200098 0.98 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8207914 0.98 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8207917 0.98 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8200094 0.98 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8210041 0.91 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8210038 0.91 OPRM1 (0.62) 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 4 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
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