SCHEMBL28786036

SCHEMBL28786036

CN1CC[C@]23c4c5ccc(OCC(=O)c6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.69
▸ OPRM1 P35372 6/20 0.69
▸ OPRK1 P41145 4/20 0.69
▸ MRGPRX2 Q96LB1 4/20 0.69
▸ ADRB1 P08588 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ SLC22A1 O15245 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ARRB1 P49407 1/20 0.62

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
SCHEMBL14516209 0.91 OPRM1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL1685975 0.91 OPRM1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL6848238 0.90 OPRM1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL6459794 0.87 OPRD1 (0.77) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL2351367 0.87 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL8418755 0.87 OPRM1 (0.83) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL29359245 0.86 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL678993 0.86 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL24880 0.86 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15249248 0.86 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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
CN-101945650-A Combination comprising a cannabinoid receptor binding compound and an opioid NOVARTIS AG 2011-01-12 — — CN claimed
CN-109069419-A Abuse resistant drugs composition G.L.制药有限责任公司 2018-12-21 — — CN disclosed
CN-101945650-A Combination comprising a cannabinoid receptor binding compound and an opioid NOVARTIS AG 2011-01-12 — — CN disclosed
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