SCHEMBL5822671

SCHEMBL5822671

CCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccccc3)cc21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.72
PDE6A P16499 10/20 0.72
PDE11A Q9HCR9 1/20 0.72
KCNH2 Q12809 1/20 0.49

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
SCHEMBL8247835 0.92 PDE5A (0.72) PDE5APDE6APDE11A
SCHEMBL5814708 0.91 PDE5A (0.69) PDE5APDE6APDE11AKCNH2
SCHEMBL8248007 0.91 PDE5A (0.76) PDE5APDE6APDE11AKCNH2
SCHEMBL8250673 0.90 PDE5A (0.69) PDE5APDE6APDE11AKCNH2
SCHEMBL8246711 0.89 PDE5A (0.71) PDE5APDE6APDE11AKCNH2
SCHEMBL8250676 0.89 PDE5A (0.65) PDE5APDE6APDE11AKCNH2
SCHEMBL8249348 0.89 PDE5A (0.70) PDE5APDE6APDE11AKCNH2
SCHEMBL8240776 0.89 PDE5A (0.90) PDE5APDE6APDE11AKCNH2
SCHEMBL5813788 0.86 PDE5A (0.81) PDE5APDE6APDE11AKCNH2
SCHEMBL8251954 0.86 PDE5A (0.67) PDE5APDE6APDE11AKCNH2

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-2006126082-A2 PYRIDINE [3,4-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed
WO-2006126082-A2 PYRIDINE [3,4-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed