Methadone

Methadone

SCHEMBL2855175

CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl.[NaH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 6/20 0.94
GRIN1 Q05586 6/20 0.94
GRIN2A Q12879 6/20 0.94
GRIN2D O15399 5/20 0.94
GRIN2C Q14957 5/20 0.94
GRIN2B Q13224 4/20 0.94
DRD3 P35462 3/20 0.94
KCNH2 Q12809 3/20 0.94
OPRD1 P41143 3/20 0.94
DRD4 P21917 2/20 0.94
CACNA1F O60840 1/20 0.94
ABCB1 P08183 1/20 0.94
CYP2B6 P20813 1/20 0.94
OPRK1 P41145 1/20 0.94
CACNA1D Q01668 1/20 0.94
CACNA1S Q13698 1/20 0.94
CACNA1C Q13936 1/20 0.94
MRGPRX2 Q96LB1 1/20 0.94
DRD2 P14416 1/20 0.57
LMNA P02545 1/20 0.40

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
Methadone SCHEMBL23589519 1.00 GRIN1 (0.94) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Levomethadone SCHEMBL396161 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL5486844 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL3426247 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Esmethadone SCHEMBL6055296 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL24293 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL18321925 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL1369177 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL7107052 0.98 GRIN1 (0.97) GRIN1GRIN2AOPRM1GRIN2DGRIN2C
Methadone SCHEMBL8988558 0.97 GRIN1 (0.94) GRIN1GRIN2AOPRM1GRIN2DGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515701-B1 PROCESS FOR THE MANUFACTURE OF MULTILAYER TABLET COMPOSITIONS COMPRISING THIAZOLIDINEDIONE AND BIGUANIDE INVENTIA HEALTHCARE PRIVATE LTD (IN) 2014-09-17 EP claimed
EP-1267880-B2 LOW DOSE ENTECAVIR FORMULATION AND USE BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP claimed
EP-1145711-B1 Flash-melt oral dosage formulation BRISTOL MYERS SQUIBB CO (US) 2006-06-07 EP claimed
EP-1267880-B1 LOW DOSE ENTECAVIR FORMULATION AND USE BRISTOL MYERS SQUIBB CO (US) 2005-12-14 EP claimed
EP-0835102-B1 CONTROLLED RELEASE FORMULATION HAVING A PREFORMED PASSAGEWAY ANDRX PHARMACEUTICALS INC (US) 2005-01-19 EP claimed
EP-1098635-B1 ENTERIC COATED PHARMACEUTICAL TABLET CONTAINING DIDANOSINE BRISTOL MYERS SQUIBB CO (US) 2004-06-02 EP claimed
EP-1221987-B1 FLUID ABSORBING, ADHESIVE HYDROCOLLOID COMPOSITIONS AVERY DENNISON CORP (US) 2003-04-02 EP claimed
EP-0670718-B1 PULSATILE PARTICLES DRUG DELIVERY SYSTEM ANDRX PHARMACEUTICALS INC (US) 2001-10-10 EP claimed
EP-3119475-A1 USE OF A TORASEMIDE-BASED VETERINARY COMPOSITION FOR LOW-DOSE ADMINISTERING Virbac (FR) 2017-01-25 EP disclosed
WO-2015140747-A1 USE OF A TORASEMIDE-BASED VETERINARY COMPOSITION FOR LOW-DOSE ADMINISTERING VIRBAC (FR) 2015-09-24 WO disclosed
EP-1441698-A4 FLASHMELT ORAL DOSAGE FORMULATION BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
EP-1441698-A1 FLASHMELT ORAL DOSAGE FORMULATION Bristol-Myers Squibb Company (US) 2004-08-04 EP disclosed
WO-2003030868-A1 FLASHMELT ORAL DOSAGE FORMULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-17 WO disclosed