SCHEMBL12948061

SCHEMBL12948061

COc1cc(F)cc2c1nc(C)c1c(C)nc(CI)n12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.60
PDE2A O00408 16/20 0.60
PDE5A O76074 3/20 0.59
PDE11A Q9HCR9 3/20 0.59
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
PDE4A P27815 2/20 0.45
PDE6D O43924 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE6B P35913 1/20 0.44
PDE6C P51160 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE6H Q13956 1/20 0.44

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
SCHEMBL12947966 0.85 PDE10A (0.57) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL969749 0.81 PDE10A (0.64) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL12947964 0.81 PDE2A (0.58) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL969419 0.75 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL969662 0.75 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL972664 0.74 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL971561 0.74 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL971176 0.73 PDE10A (0.79) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL969642 0.73 PDE10A (0.85) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL970666 0.73 PDE10A (0.55) PDE10APDE2APDE5APDE11APDE4A

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
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed