SCHEMBL6916379

SCHEMBL6916379

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.61
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR4A2 P43354 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 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
SCHEMBL6917345 0.90 PDE10A (0.61) PDE10ATP53RXFP1
SCHEMBL12314872 0.90 PDE10A (0.61) PDE10ANR4A2MAPTKDM4EALDH1A1
SCHEMBL12316438 0.90 PDE10A (0.74) PDE10A
SCHEMBL2385774 0.90 PDE10A (0.69) PDE10ATP53RXFP1
SCHEMBL2372991 0.87 PDE10A (0.59) PDE10A
SCHEMBL6915413 0.84 PDE10A (0.62) PDE10ATP53MAPTKDM4EALDH1A1
SCHEMBL6916959 0.84 PDE10A (0.69) PDE10ATP53POLBMAPT
SCHEMBL14672680 0.82 PDE10A (0.64) PDE10ATP53RXFP1KDM4EALDH1A1
SCHEMBL14672699 0.82 PDE10A (0.64) PDE10AMAPTALDH1A1
SCHEMBL2397443 0.82 PDE10A (0.77) 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