SCHEMBL7898178

SCHEMBL7898178

Cc1cc2c(cc1C=O)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.46
PDE9A O76083 13/20 0.46
PDE1A P54750 6/20 0.41
PDE1C Q14123 5/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
PDE5A O76074 1/20 0.39

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
SCHEMBL21300097 0.94 PDE9A (0.42) PDE1BPDE9APDE1APDE1CGRIA1
SCHEMBL471001 0.82 PDE9A (0.54) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL14827029 0.82 PDE9A (0.54) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL7908668 0.80 PDE9A (0.54) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL18214680 0.79 PDE9A (0.51) PDE1BPDE9APDE5A
SCHEMBL12045037 0.79 PDE9A (0.51) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL21300059 0.79 PDE9A (0.42) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL12045040 0.78 PDE9A (0.48) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL470993 0.77 PDE9A (0.50) PDE1BPDE9APDE1APDE1CPDE5A
SCHEMBL12045041 0.77 PDE9A (0.48) PDE1BPDE9APDE1APDE1CPDE5A

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-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed