SCHEMBL8252928

SCHEMBL8252928

CCCNc1nc2ncc(-c3ccc(OC)nc3)cc2n(CCOCCC)c1=O

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.88
PDE6A P16499 19/20 0.88

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
SCHEMBL8250900 0.95 PDE5A (0.88) PDE5APDE6A
SCHEMBL8244622 0.94 PDE5A (1.00) PDE5APDE6A
SCHEMBL8244023 0.94 PDE5A (1.00) PDE5APDE6A
SCHEMBL8254497 0.94 PDE5A (0.87) PDE5APDE6A
SCHEMBL8251722 0.94 PDE5A (1.00) PDE5APDE6A
SCHEMBL8244320 0.94 PDE5A (0.83) PDE5APDE6A
SCHEMBL8253783 0.93 PDE5A (0.82) PDE5APDE6A
SCHEMBL8244020 0.92 PDE5A (0.84) PDE5APDE6A
SCHEMBL8245566 0.91 PDE5A (0.80) PDE5APDE6A
SCHEMBL6073316 0.91 PDE5A (0.84) 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