SCHEMBL2792231

SCHEMBL2792231

COc1cc(C(F)(F)F)cc2c1nc(C)c1c(C(F)(F)F)nc(-c3cccnc3C)n12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.66
PDE2A O00408 19/20 0.66
PDE5A O76074 4/20 0.66
PDE11A Q9HCR9 4/20 0.66
PDE4A P27815 1/20 0.66
PDE6D O43924 5/20 0.54
PDE6A P16499 5/20 0.54
PDE6G P18545 5/20 0.54
PDE6B P35913 5/20 0.54
PDE6C P51160 5/20 0.54
PDE6H Q13956 5/20 0.54

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
SCHEMBL2789807 0.93 PDE10A (0.77) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2790549 0.91 PDE10A (0.80) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2790774 0.86 PDE10A (0.82) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2792520 0.83 PDE2A (0.87) PDE10APDE2APDE5APDE11APDE6D
SCHEMBL3326367 0.81 PDE2A (0.77) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL971800 0.80 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL972664 0.80 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2791922 0.77 PDE10A (0.77) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2791195 0.77 PDE10A (0.78) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2840425 0.76 PDE10A (0.85) PDE10APDE2APDE5APDE11APDE6D

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-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO claimed