SCHEMBL6916959

SCHEMBL6916959

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.69
ATR Q13535 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 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
SCHEMBL2385506 0.92 PDE10A (0.69) PDE10ATP53POLBMAPTTHRB
SCHEMBL2397480 0.92 PDE10A (0.68) PDE10AATRTP53POLBMAPT
SCHEMBL2373814 0.91 PDE10A (0.81) PDE10AATR
SCHEMBL2397596 0.89 PDE10A (0.64) PDE10AATRTP53POLBMAPT
SCHEMBL2385774 0.89 PDE10A (0.69) PDE10ATP53
SCHEMBL2386118 0.89 PDE10A (0.63) PDE10AATRTP53POLBMAPT
SCHEMBL15780206 0.86 PDE10A (0.71) PDE10ATP53POLBMAPTTHRB
SCHEMBL2397273 0.86 PDE10A (0.68) PDE10ATP53POLBMAPTTHRB
SCHEMBL2385720 0.86 PDE10A (0.63) PDE10ATP53POLBMAPTTHRB
SCHEMBL2385384 0.85 PDE10A (0.81) PDE10ATP53POLBMAPTTHRB

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