SCHEMBL8506331

SCHEMBL8506331

COCOc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.80
OPRK1 P41145 12/20 0.80
OPRD1 P41143 6/20 0.80
MRGPRX2 Q96LB1 2/20 0.57
ADRB1 P08588 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL21008992 0.89 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL18569385 0.89 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL30199760 0.89 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL6865494 0.84 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL6865490 0.84 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL14089349 0.82 OPRD1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL18569404 0.81 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2
SCHEMBL22838355 0.81 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2
SCHEMBL8383142 0.81 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2
SCHEMBL876355 0.81 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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