SCHEMBL6917345

SCHEMBL6917345

CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.61
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL14672680 0.92 PDE10A (0.64) PDE10ATP53RXFP1GAA
SCHEMBL6916379 0.90 PDE10A (0.61) PDE10ATP53RXFP1
SCHEMBL2384173 0.90 PDE10A (0.68) PDE10A
SCHEMBL12314872 0.90 PDE10A (0.61) PDE10A
SCHEMBL6915413 0.89 PDE10A (0.62) PDE10ATP53GAA
SCHEMBL12316438 0.89 PDE10A (0.74) PDE10A
SCHEMBL2395216 0.88 PDE10A (0.59) PDE10A
SCHEMBL2386856 0.87 PDE10A (0.82) PDE10A
SCHEMBL2373321 0.86 PDE10A (0.57) PDE10A
SCHEMBL2400554 0.85 PDE10A (0.69) PDE10A

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
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed