SCHEMBL4692156

SCHEMBL4692156

CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)OC1CCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.42
CNR2 P34972 8/20 0.42
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4691800 0.96 CNR1 (0.40) CNR1CNR2LMNA
SCHEMBL4691613 0.81 CNR1 (0.62) CNR1CNR2
SCHEMBL2652057 0.81 CNR1 (0.62) CNR1CNR2
SCHEMBL2653467 0.81 CNR1 (0.62) CNR1CNR2
SCHEMBL4690861 0.80 CNR1 (0.63) CNR1CNR2
SCHEMBL4688836 0.80 CNR1 (0.60) CNR1CNR2
SCHEMBL3525105 0.79 CNR1 (0.68) CNR1CNR2
SCHEMBL2652787 0.78 CNR1 (0.56) CNR1CNR2
SCHEMBL4692613 0.78 CNR1 (0.58) CNR1CNR2
SCHEMBL4691557 0.77 CNR1 (0.65) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed