SCHEMBL8250971

SCHEMBL8250971

CCCOCCn1c(=O)c(NCC(=O)N[C@@H](CC)CO)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
PDE6A P16499 20/20 0.81
KCNH2 Q12809 1/20 0.70

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
SCHEMBL8247223 0.92 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL5808436 0.89 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL5813676 0.89 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL5821636 0.89 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL8239979 0.89 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL5813223 0.88 PDE5A (0.84) PDE5APDE6AKCNH2
SCHEMBL8243776 0.88 PDE5A (0.80) PDE5APDE6A
SCHEMBL5813815 0.88 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL5809592 0.87 PDE5A (0.84) PDE5APDE6AKCNH2
SCHEMBL8250847 0.87 PDE5A (1.00) 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