SCHEMBL7912411

SCHEMBL7912411

Cc1cc2c(cc1C(=O)N1CCc3ccc(N)cc3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 7/20 0.45
PDE5A O76074 1/20 0.45
PDE1B Q01064 2/20 0.36
SPR P35270 1/20 0.36
ENPP2 Q13822 1/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL14828364 0.92 PDE9A (0.44) PDE9APDE5APDE1BSPRENPP2
SCHEMBL12044995 0.92 PDE9A (0.45) PDE9APDE5APDE1BSPRENPP2
SCHEMBL7899394 0.91 PDE9A (0.47) PDE9APDE5APDE1BSPRENPP2
SCHEMBL12045005 0.91 PDE9A (0.43) PDE9APDE5APDE1BSPRENPP2
SCHEMBL7908379 0.91 PDE9A (0.43) PDE9APDE5APDE1BSPR
SCHEMBL7896928 0.91 PDE9A (0.45) PDE9APDE5ASPR
SCHEMBL7908777 0.90 PDE9A (0.45) PDE9APDE5APDE1BSPR
SCHEMBL14828367 0.89 PDE9A (0.44) PDE9APDE5APDE1BENPP2
SCHEMBL12044150 0.89 SPR (0.46) PDE9APDE5ASPR
SCHEMBL7912364 0.89 SPR (0.46) PDE9APDE5ASPR

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