SCHEMBL8212916

SCHEMBL8212916

COc1ccc(CCC(=O)OC2C=C[C@H]3[C@H]4Cc5ccc(OC(C)=O)c6c5[C@@]3(CCN4C)C2O6)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.65
OPRM1 P35372 13/20 0.61
OPRK1 P41145 11/20 0.61
MRGPRX2 Q96LB1 2/20 0.55
ADRB1 P08588 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL8212914 1.00 OPRD1 (0.65) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8212028 0.96 OPRD1 (0.64) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8212026 0.96 OPRD1 (0.64) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8208244 0.93 OPRD1 (0.67) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8207244 0.91 OPRM1 (0.60) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8207247 0.91 OPRM1 (0.60) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8207260 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8207258 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8199432 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL8199437 0.89 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