SCHEMBL8254199

SCHEMBL8254199

CCCOCCn1c(=O)c(NCCN2CCCNCC2)nc2ncc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.78
PDE6A P16499 18/20 0.78
PDE11A Q9HCR9 1/20 0.63

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
SCHEMBL8253417 0.96 PDE5A (0.73) PDE5APDE6A
SCHEMBL8251850 0.90 PDE5A (0.81) PDE5APDE6A
SCHEMBL8251083 0.89 PDE5A (0.79) PDE5APDE6APDE11A
SCHEMBL8244274 0.88 PDE5A (1.00) PDE5APDE6APDE11A
SCHEMBL8251645 0.86 PDE5A (0.81) PDE5APDE6A
SCHEMBL8253406 0.86 PDE5A (0.75) PDE5APDE6A
SCHEMBL8252928 0.86 PDE5A (0.88) PDE5APDE6A
SCHEMBL8254218 0.85 PDE5A (0.74) PDE5APDE6A
SCHEMBL8251650 0.85 PDE5A (0.74) PDE5APDE6A
SCHEMBL8250216 0.85 PDE5A (0.74) 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