SCHEMBL5822668

SCHEMBL5822668

CCOCCCn1c(=O)c(NCC(=O)N(C)C)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.83
PDE6A P16499 18/20 0.83

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
SCHEMBL5808884 0.95 PDE5A (0.91) PDE5APDE6A
SCHEMBL8249600 0.91 PDE5A (1.00) PDE5APDE6A
SCHEMBL8248168 0.88 PDE5A (0.83) PDE5APDE6A
SCHEMBL5813480 0.87 PDE5A (0.80) PDE5APDE6A
SCHEMBL5814897 0.87 PDE5A (0.82) PDE5APDE6A
SCHEMBL5812352 0.86 PDE5A (0.75) PDE5APDE6A
SCHEMBL8251610 0.86 PDE5A (0.83) PDE5APDE6A
SCHEMBL5809725 0.83 PDE5A (0.89) PDE5APDE6A
SCHEMBL5814836 0.83 PDE5A (0.82) PDE5APDE6A
SCHEMBL8250736 0.83 PDE5A (0.65) PDE5APDE6A

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