Codeine

Codeine

SCHEMBL7632902

COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

The experimentally established mechanism targets of Codeine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 7/20 1.00
OPRD1 known ✓ P41143 9/20 0.98
OPRK1 known ✓ P41145 5/20 0.98
MRGPRX2 Q96LB1 4/20 0.98
ADRB1 P08588 1/20 0.98
PDE4D Q08499 1/20 0.98
PDE3A Q14432 1/20 0.98
SLC22A1 O15245 1/20 0.74
ADRA2A P08913 1/20 0.74
ARRB1 P49407 1/20 0.74
SLC18A3 Q16572 1/20 0.72

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
Codeine SCHEMBL29938690 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL3031563 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL9324126 0.99 OPRM1 (0.98) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL8218174 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL10329428 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL13696342 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL1560699 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL16922140 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL21077535 0.99 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL14371354 0.99 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
EP-0777477-B1 IMPROVED PHARMACEUTICAL FORMULATIONS CONTAINING IBUPROFEN AND CODEINE SMITHKLINE BEECHAM PLC (GB) 2002-11-13 EP claimed
CN-115057865-A Preparation method of codeine phosphate hemihydrate 国药集团工业有限公司 2022-09-16 CN disclosed