SCHEMBL14865449

SCHEMBL14865449

CCCc1c(CC)cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)O)c(=O)n1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.39
CNR1 P21554 15/20 0.39
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL5524810 0.80 CNR2 (0.49) CNR2CNR1
SCHEMBL5509900 0.77 CNR2 (0.51) CNR2CNR1
SCHEMBL5520674 0.76 CNR2 (0.66) CNR2CNR1
SCHEMBL2745458 0.75 CNR2 (0.44) CNR2CNR1
SCHEMBL5523933 0.75 CNR2 (0.44) CNR2CNR1
SCHEMBL5516356 0.74 CNR2 (0.52) CNR2CNR1
SCHEMBL11906830 0.73 POLB (0.37) CNR2CNR1PDE1APDE1BPDE1C
SCHEMBL5524751 0.72 CNR2 (0.66) CNR2CNR1
SCHEMBL5524784 0.72 CNR2 (0.66) CNR2CNR1
SCHEMBL2745444 0.71 CNR2 (0.54) CNR2CNR1ALDH1A1

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed