SCHEMBL8208039

SCHEMBL8208039

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.62
OPRK1 P41145 16/20 0.62
OPRD1 P41143 12/20 0.62

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
SCHEMBL8207376 0.98 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8207375 0.98 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8206838 0.97 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8206833 0.97 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8208118 0.93 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8208119 0.93 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8199441 0.93 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8199444 0.93 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL8208040 0.92 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8206821 0.91 OPRM1 (0.66) 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 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