SCHEMBL8207984

SCHEMBL8207984

CCOC(=O)CNC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.68
OPRM1 P35372 13/20 0.68
OPRK1 P41145 12/20 0.68
MRGPRX2 Q96LB1 2/20 0.59
SLC22A1 O15245 1/20 0.59
ADRA2A P08913 1/20 0.59
ARRB1 P49407 1/20 0.59

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
SCHEMBL8211738 0.90 OPRD1 (0.66) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL8211747 0.90 OPRD1 (0.66) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL8199153 0.88 OPRM1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL8199155 0.88 OPRM1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL8561332 0.86 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL12220381 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL22959885 0.84 OPRD1 (0.77) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29894293 0.84 OPRD1 (0.77) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL13998949 0.83 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16922133 0.83 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1

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