SCHEMBL8769889

SCHEMBL8769889

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OC(=O)c2ccc(Br)cc2)C=C[C@H]3[C@H]1C5

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.74
OPRM1 P35372 13/20 0.74
OPRK1 P41145 12/20 0.74
MRGPRX2 Q96LB1 2/20 0.64
SLC22A1 O15245 1/20 0.64
ADRA2A P08913 1/20 0.64
ARRB1 P49407 1/20 0.64

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
SCHEMBL8769523 0.94 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL8770145 0.90 OPRM1 (0.75) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL8769531 0.90 OPRD1 (0.69) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29368031 0.88 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL17302927 0.88 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL13998949 0.88 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL7940016 0.88 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16922133 0.88 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16810050 0.88 OPRM1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL154049 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793664-A1 MORPHINE AND CODEINE DERIVATIVES FOR USE IN THERAPY BTG INTERNATIONAL LIMITED (GB) 1997-09-10 EP disclosed
WO-1996016063-A1 MORPHINE AND CODEINE DERIVATIVES FOR USE IN THERAPY BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-05-30 WO disclosed