SCHEMBL8248174

SCHEMBL8248174

COc1ccc(-c2cc3c(cn2)nc(NCC(N)=O)c(=O)n3CCOCC(F)(F)F)cn1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
PDE6A P16499 19/20 0.81
KCNH2 Q12809 1/20 0.61

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
SCHEMBL8248168 0.92 PDE5A (0.83) PDE5APDE6A
SCHEMBL8248172 0.92 PDE5A (0.81) PDE5APDE6AKCNH2
SCHEMBL8250847 0.90 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL8241078 0.88 PDE5A (0.65) PDE5APDE6AKCNH2
SCHEMBL8251080 0.88 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL8248183 0.88 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL8247858 0.88 PDE5A (0.83) PDE5APDE6AKCNH2
SCHEMBL8246715 0.87 PDE5A (0.83) PDE5APDE6AKCNH2
SCHEMBL8251084 0.87 PDE5A (0.75) PDE5APDE6AKCNH2
SCHEMBL8247036 0.87 PDE5A (0.75) PDE5APDE6AKCNH2

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-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed