SCHEMBL14865454

SCHEMBL14865454

CCc1cc(C(=O)NC(CCC(=O)O)CC(C)C)c(=O)n(CCC(C)CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5525434 0.84 CNR2 (0.45) PLA2G10CNR2CNR1TAS1R3TAS1R1
SCHEMBL5525415 0.74 CNR2 (0.43) CNR2CNR1
SCHEMBL5516941 0.73 CNR2 (0.46) PLA2G10CNR2CNR1
SCHEMBL14865423 0.72 CNR2 (0.36) CNR2CNR1
SCHEMBL14865401 0.68 CNR2 (0.46) CNR2CNR1
SCHEMBL5522290 0.67 CNR2 (0.47) CNR2CNR1
SCHEMBL5519319 0.64 CNR2 (0.45) CNR2CNR1
SCHEMBL14865425 0.64 GCK (0.38) CNR2CNR1
SCHEMBL5515502 0.63 CNR2 (0.61) CNR2CNR1
SCHEMBL5517623 0.63 CNR2 (0.48) CNR2CNR1TAS1R3TAS1R1

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