SCHEMBL8206410

SCHEMBL8206410

COCOc1ccc2c3c1OC1C(OC(=O)CCCc4ccc(OC)cc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.58
OPRK1 P41145 12/20 0.58
OPRD1 P41143 7/20 0.58
MRGPRX2 Q96LB1 2/20 0.53
ADRB1 P08588 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL8505617 1.00 OPRM1 (0.58) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8206409 1.00 OPRM1 (0.58) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8207244 0.96 OPRM1 (0.60) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8207247 0.96 OPRM1 (0.60) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8206604 0.92 OPRM1 (0.62) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8212028 0.91 OPRD1 (0.64) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8212026 0.91 OPRD1 (0.64) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8208039 0.89 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8207375 0.89 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8207376 0.89 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 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