SCHEMBL31298539

SCHEMBL31298539

COc1ccc(COc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@@]452)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.76
▸ OPRD1 P41143 7/20 0.76
▸ OPRK1 P41145 6/20 0.76
▸ MRGPRX2 Q96LB1 4/20 0.76
▸ ADRB1 P08588 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ PDE3A Q14432 1/20 0.76
▸ SLC22A1 O15245 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ARRB1 P49407 1/20 0.63

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
SCHEMBL678993 0.91 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL1278380 0.91 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL15249248 0.91 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL29359245 0.91 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL24880 0.91 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL31058090 0.90 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL14192921 0.87 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL13998952 0.87 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL21077535 0.87 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL1276342 0.87 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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
WO-2024238822-A1 HEROIN VACCINE COMPOSITIONS AND METHODS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-11-21 — — WO claimed
WO-2024238822-A1 HEROIN VACCINE COMPOSITIONS AND METHODS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-11-21 — — WO disclosed
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