Codeinone

Codeinone

SCHEMBL11533410

COc1ccc2c3c1O[C@H]1C(=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O=S(=O)(O)O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

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

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 10/20 0.91
OPRD1 known ✓ P41143 8/20 0.67
OPRK1 known ✓ P41145 7/20 0.64
ADRB1 known ✓ P08588 1/20 0.64
MRGPRX2 Q96LB1 4/20 0.64
PDE4D Q08499 2/20 0.64
PDE3A Q14432 1/20 0.64
LMNA P02545 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
Codeinone SCHEMBL101725 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL13154678 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL29375985 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL100655 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL3107493 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL14192923 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL13952981 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL12137788 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL13633530 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2PDE4D
Codeinone SCHEMBL7707098 0.94 OPRM1 (0.98) OPRM1OPRD1OPRK1MRGPRX2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140687-A Process for the preparation of 8-halodihydrocodeinone hydrohalides and codeine MACFARIAN SMITH LIMITED (GB) 1979-02-20 US disclosed