SCHEMBL5813480

SCHEMBL5813480

COc1ccc(-c2cc3c(cn2)nc(NCC(=O)N(C)C)c(=O)n3CCOC(C)C)cn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.80
PDE6A P16499 19/20 0.80

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 0.90 PDE5A (0.91) PDE5APDE6A
SCHEMBL5813826 0.90 PDE5A (0.80) PDE5APDE6A
SCHEMBL8249600 0.89 PDE5A (1.00) PDE5APDE6A
SCHEMBL8248168 0.88 PDE5A (0.83) PDE5APDE6A
SCHEMBL5822668 0.87 PDE5A (0.83) PDE5APDE6A
SCHEMBL8250042 0.82 PDE5A (0.85) PDE5APDE6A
SCHEMBL8250370 0.82 PDE5A (0.80) PDE5APDE6A
SCHEMBL5809714 0.82 PDE5A (0.64) PDE5APDE6A
SCHEMBL5813833 0.82 PDE5A (0.54) PDE5APDE6A
SCHEMBL8250969 0.81 PDE5A (0.64) 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 claimed
WO-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed