SCHEMBL14472467

SCHEMBL14472467

CCC1Cc2c(cc(C(=O)Nc3nc(CC(=O)O)cs3)c(=O)n2CC2CCCCC2)C(C)C1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.67
CNR1 P21554 17/20 0.67
OGFRL1 Q5TC84 1/20 0.41
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5525214 0.92 CNR2 (0.69) CNR2CNR1OGFRL1
SCHEMBL5518801 0.84 CNR2 (0.79) CNR2CNR1
SCHEMBL5522996 0.81 CNR2 (0.68) CNR2CNR1OGFRL1ALDH1A1
SCHEMBL14472294 0.81 CNR2 (0.68) CNR2CNR1OGFRL1
SCHEMBL5518810 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL2746481 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL5522844 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL5521552 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL5516915 0.78 CNR2 (0.95) CNR2CNR1
SCHEMBL5525663 0.78 CNR2 (0.68) CNR2CNR1OGFRL1ALDH1A1

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-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed