SCHEMBL8244274

SCHEMBL8244274

CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE6A P16499 13/20 1.00
PDE11A Q9HCR9 1/20 0.78

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
SCHEMBL8244033 0.95 PDE5A (0.91) PDE5APDE6APDE11A
SCHEMBL8251880 0.91 PDE5A (0.83) PDE5APDE6APDE11A
SCHEMBL8243748 0.90 PDE5A (0.81) PDE5APDE6APDE11A
SCHEMBL8251850 0.89 PDE5A (0.81) PDE5APDE6A
SCHEMBL8253937 0.89 PDE5A (0.86) PDE5APDE6APDE11A
SCHEMBL8252928 0.89 PDE5A (0.88) PDE5APDE6A
SCHEMBL8251083 0.88 PDE5A (0.79) PDE5APDE6APDE11A
SCHEMBL8254199 0.88 PDE5A (0.78) PDE5APDE6APDE11A
SCHEMBL5808570 0.88 PDE5A (1.00) PDE5APDE6APDE11A
SCHEMBL8244544 0.87 PDE5A (0.77) PDE5APDE6APDE11A

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