SCHEMBL29011591

SCHEMBL29011591

CN1CC[C@]23c4c5ccc(O[N+](=O)[O-])c4O[C@H]2[C@@H](O[N+](=O)[O-])C=C[C@H]3[C@H]1C5

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 14/20 0.70
▸ OPRK1 P41145 11/20 0.70
▸ OPRD1 P41143 9/20 0.70
▸ MRGPRX2 Q96LB1 2/20 0.60
▸ ADRB1 P08588 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ PDE3A Q14432 1/20 0.60

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
SCHEMBL3475526 0.94 OPRM1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL29416620 0.88 OPRD1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL547917 0.88 OPRD1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL1490396 0.83 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL14107503 0.83 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL14153815 0.83 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL15721372 0.83 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL12830850 0.83 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL11778970 0.81 OPRM1 (0.89) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Codeine SCHEMBL3475523 0.79 OPRD1 (0.88) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118105390-A Method for treating addiction 细胞内治疗公司 2024-05-31 — — CN claimed
CN-118829658-A Method for producing high affinity antibodies to fentanyl 德国癌症研究中心公共法律基金会 2024-10-22 — — CN disclosed
CN-111698987-B Halogenated derivatives of morphinans and uses thereof 萨鲁德医疗公司 2024-08-13 — — CN disclosed
CN-117899209-A Vaccination and antibody production platform 德国癌症研究公共权益基金会 2024-04-19 — — CN disclosed
CN-117425652-A Novel salts and crystals 细胞内治疗公司 2024-01-19 — — CN disclosed
CN-111093664-B Organic compound 细胞内治疗公司 2023-06-02 — — CN disclosed
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