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Codeine

Codeine

SCHEMBL250022

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.72

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 12/20 0.72
▸ OPRK1 known ✓ P41145 10/20 0.72
▸ OPRD1 known ✓ P41143 9/20 0.72
▸ MRGPRX2 Q96LB1 5/20 0.72
▸ PDE4D Q08499 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ ADRB1 P08588 1/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ SLC22A1 O15245 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ ARRB1 P49407 1/20 0.67

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 SCHEMBL3239478 1.00 OPRM1 (0.72) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Hydrocodone SCHEMBL1359279 0.96 OPRM1 (0.78) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Hydromorphone SCHEMBL1360640 0.94 OPRD1 (0.79) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Ethylmorphine SCHEMBL6471137 0.92 OPRM1 (0.67) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Oxycodone SCHEMBL19285728 0.91 OPRM1 (0.61) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Oxycodone SCHEMBL17165053 0.91 OPRM1 (0.61) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Hydrocodone SCHEMBL1360903 0.90 OPRM1 (0.89) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Oxycodone SCHEMBL19463262 0.89 OPRM1 (0.59) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Codeine SCHEMBL159241 0.89 OPRM1 (0.91) OPRM1OPRK1OPRD1MRGPRX2PDE4D
Hydrocodone SCHEMBL1683551 0.88 OPRD1 (0.77) OPRM1OPRK1OPRD1MRGPRX2PDE4D

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-2588085-A1 SUSTAINED RELEASE COMPOSITION COMPRISING AN AMINE AS ACTIVE AGENT AND A SALT OF A CYCLIC ORGANIC ACID Upsher-Smith Laboratories, Inc. (US) 2013-05-08 — — EP disclosed
WO-2012003231-A1 SUSTAINED RELEASE COMPOSITION COMPRISING AN AMINE AS ACTIVE AGENT AND A SALT OF A CYCLIC ORGANIC ACID UPSHER-SMITH LABORATORIES, INC. (US) 2012-01-05 — — WO disclosed