SCHEMBL17870644

SCHEMBL17870644

CCCC(C(=O)CCN(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.67
DRD3 P35462 5/20 0.67
DRD2 P14416 3/20 0.67
DRD4 P21917 4/20 0.58
LMNA P02545 3/20 0.52
CYP2D6 P10635 3/20 0.52
SCN1A P35498 3/20 0.52
SCN2A Q99250 3/20 0.52
SCN3A Q9NY46 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2B6 P20813 2/20 0.51
KDM4E B2RXH2 2/20 0.51

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
Hydrochloric Acid SCHEMBL17874190 0.98 OPRM1 (0.65) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL27512095 0.89 OPRM1 (0.64) OPRM1DRD3DRD2DRD4LMNA
Normethadone SCHEMBL24337 0.80 OPRM1 (1.00) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL24683697 0.79 OPRM1 (0.54) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL18994329 0.79 OPRM1 (0.69) OPRM1DRD3DRD2DRD4LMNA
Normethadone SCHEMBL1649313 0.79 OPRM1 (0.97) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL10440077 0.78 OPRM1 (0.73) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL9295790 0.78 CHRM3 (0.59) OPRM1DRD3DRD2DRD4LMNA
Methane SCHEMBL5604947 0.78 OPRM1 (0.67) OPRM1DRD3DRD2DRD4LMNA
SCHEMBL17870651 0.77 OPRM1 (0.46) OPRM1DRD3DRD2DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143042-A1 SYSTEM AND METHOD FOR AEROSOL PARTICLE PRODUCTION OF SUBMICRON AND NANO STRUCTURED MATERIALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-05-11 US disclosed
EP-3237373-A1 \"A NOVEL PROCESS FOR CHIRAL RESOLUTION OF HIGHLY PURE (6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-3-HEPTANONE FROM RACEMIC METHADONE HYDROCHLORIDE\ Harman Finochem Limited (IN) 2017-11-01 EP disclosed
WO-2016103274-A1 \"A NOVEL PROCESS FOR CHIRAL RESOLUTION OF HIGHLY PURE (6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-3-HEPTANONE FROM RACEMIC METHADONE HYDROCHLORIDE\ HARMAN FINOCHEM LIMITED (IN) 2016-06-30 WO disclosed