SCHEMBL18994329

SCHEMBL18994329

CCCC(C(=O)CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.69
DRD3 P35462 3/20 0.69
DRD2 P14416 1/20 0.69
GRIN2D O15399 2/20 0.58
GRIN1 Q05586 2/20 0.58
GRIN2A Q12879 2/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN2C Q14957 2/20 0.58
OPRD1 P41143 2/20 0.58
CYP2B6 P20813 2/20 0.58
DRD4 P21917 2/20 0.58
KCNH2 Q12809 2/20 0.58
CACNA1F O60840 1/20 0.58
ABCB1 P08183 1/20 0.58
OPRK1 P41145 1/20 0.58
CACNA1D Q01668 1/20 0.58
CACNA1S Q13698 1/20 0.58
CACNA1C Q13936 1/20 0.58
MRGPRX2 Q96LB1 1/20 0.58
LMNA P02545 4/20 0.53

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
Methane SCHEMBL5604947 0.98 OPRM1 (0.67) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL9295790 0.86 CHRM3 (0.59) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL9780534 0.86 OPRM1 (0.67) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL20607354 0.86 OPRM1 (0.66) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL1614867 0.86 CYP2C19 (0.54) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL24683697 0.84 OPRM1 (0.54) OPRM1DRD3DRD2GRIN2DGRIN1
Hydrochloric Acid SCHEMBL2861649 0.84 CYP2C19 (0.55) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL14097833 0.82 CYP2C19 (0.51) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL8658465 0.82 OPRM1 (0.62) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL8658381 0.82 OPRM1 (0.61) OPRM1DRD3DRD2GRIN2DGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423034-A1 ABUSE-DETERRENT PHARMACEUTICAL COMPOSITION G.L. Pharma GmbH (AT) 2019-01-09 EP disclosed
US-9682049-B2 Non-racemic mixtures of various ratios of D- and L-methadone and methods of treating pain using the same MIRONER, Y. EUGENE, DR. 2017-06-20 US disclosed
CN-106456579-A Methods and compositions for interfering with the extraction or transformation of drugs susceptible to abuse 阿库拉制药公司 2017-02-22 CN disclosed
CN-1691936-A Combined immediate release and extended release analgesic composition ENDO PHARMACEUTICALS INC (US) 2005-11-02 CN disclosed
CN-1642547-A Pharmaceutical composition and method for treating disorders of the central nervous system ENDO PHARMACEUTICALS INC (US) 2005-07-20 CN disclosed