SCHEMBL3663467

SCHEMBL3663467

COc1cc(Cl)ccc1C(=O)NC1CN(CC2CC2)CCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
DRD4 P21917 1/20 0.36
HTR4 Q13639 4/20 0.36
PDE10A Q9Y233 1/20 0.36
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL3666807 0.91 GSK3B (0.38) F10DRD4
SCHEMBL2066032 0.88 F10 (0.45) F10PDE10AMAPTHCRTR1
SCHEMBL3663921 0.87 MCHR1 (0.38) DRD4HCRTR1HCRTR2
SCHEMBL2065921 0.86 F10 (0.45) F10HCRTR1
SCHEMBL3668510 0.83 DRD4 (0.45) DRD4KCNH2LMNAMAPT
SCHEMBL3398468 0.82 MTOR (0.40) F10LMNA
SCHEMBL3663404 0.82 GSK3B (0.41) F10
SCHEMBL1168730 0.80 GSK3B (0.44) F10
SCHEMBL3662763 0.80 GSK3B (0.49)
SCHEMBL2066338 0.80 KCNMA1 (0.46) LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO claimed
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed