SCHEMBL14865425

SCHEMBL14865425

CCc1cc(C(=O)Nc2ncc(/C=C/C(=O)O)cn2)c(=O)n(CCC(C)C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.38
HDAC1 Q13547 2/20 0.36
CNR2 P34972 5/20 0.34
CNR1 P21554 2/20 0.34
P4HTM Q9NXG6 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA2B P08514 2/20 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
SCHEMBL5525406 0.92 CNR2 (0.41) GCKHDAC1CNR2CNR1P4HTM
SCHEMBL5525887 0.83 GCK (0.48) GCKHDAC1CNR2CNR1P4HTM
SCHEMBL11922994 0.74 GCK (0.45) GCKCNR2CNR1ADORA3ADORA2B
SCHEMBL5521460 0.69 CNR2 (0.45) CNR2CNR1ADORA3ADORA2BADORA2A
SCHEMBL5517181 0.67 CNR2 (0.47) CNR2CNR1
SCHEMBL5519135 0.67 CNR2 (0.45) CNR2CNR1MAPTRXFP1KDM4E
SCHEMBL5509889 0.65 CNR2 (0.49) CNR2CNR1MAPTKDM4E
SCHEMBL14865454 0.64 PLA2G10 (0.38) CNR2CNR1
SCHEMBL14472357 0.61 CNR2 (0.44) CNR2CNR1MAPTRXFP1KDM4E
SCHEMBL10661608 0.60 P4HTM (0.62) HDAC1P4HTMMAPTDPP4KDM4E

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