SCHEMBL6916222

SCHEMBL6916222

Cn1ncc(C(=O)NCc2ccc(N)nc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.64
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PHGDH O43175 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
SCHEMBL2385064 0.91 PDE10A (0.64) PDE10AALDH1A1
SCHEMBL2384493 0.90 PDE10A (0.71) PDE10AALDH1A1MAPTRXFP1
SCHEMBL2386639 0.89 PDE10A (0.61) PDE10AALDH1A1MAPTRXFP1
SCHEMBL2387135 0.89 PDE10A (0.61) PDE10A
SCHEMBL2400200 0.87 PDE10A (0.67) PDE10A
SCHEMBL6915916 0.85 PDE10A (0.76) PDE10A
SCHEMBL2397245 0.85 PDE10A (0.66) PDE10AALDH1A1
SCHEMBL12316438 0.84 PDE10A (0.74) PDE10A
SCHEMBL2372512 0.83 PDE10A (0.71) PDE10A
SCHEMBL12266633 0.83 PDE10A (0.74) 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