SCHEMBL8245642

SCHEMBL8245642

CCCOCCn1c(=O)c(NCC(=O)NC(C)CO)nc2ncc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
PDE6A P16499 19/20 0.81

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
SCHEMBL8249957 0.94 PDE5A (0.84) PDE5APDE6A
SCHEMBL8243776 0.92 PDE5A (0.80) PDE5APDE6A
SCHEMBL8244554 0.90 PDE5A (1.00) PDE5APDE6A
SCHEMBL8243773 0.89 PDE5A (0.85) PDE5APDE6A
SCHEMBL8251287 0.89 PDE5A (0.85) PDE5APDE6A
SCHEMBL8250208 0.89 PDE5A (0.86) PDE5APDE6A
SCHEMBL8250697 0.88 PDE5A (0.81) PDE5APDE6A
SCHEMBL8244007 0.88 PDE5A (0.83) PDE5APDE6A
SCHEMBL8247223 0.88 PDE5A (0.82) PDE5APDE6A
SCHEMBL8253787 0.87 PDE5A (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006126081-A2 PYRIDINO [2 , 3-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed