SCHEMBL8250216

SCHEMBL8250216

CCCOCCn1c(=O)c(NCCN2CCC[C@H](O)C2)nc2ncc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.74
PDE6A P16499 18/20 0.74

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
SCHEMBL8251650 1.00 PDE5A (0.74) PDE5APDE6A
SCHEMBL8253671 0.96 PDE5A (0.76) PDE5APDE6A
SCHEMBL8254195 0.96 PDE5A (0.76) PDE5APDE6A
SCHEMBL8251654 0.92 PDE5A (0.75) PDE5APDE6A
SCHEMBL8254218 0.91 PDE5A (0.74) PDE5APDE6A
SCHEMBL8252059 0.91 PDE5A (0.73) PDE5APDE6A
SCHEMBL8255161 0.90 PDE5A (0.66) PDE5APDE6A
SCHEMBL8255238 0.90 PDE5A (0.66) PDE5APDE6A
SCHEMBL8244331 0.88 PDE5A (0.76) PDE5APDE6A
SCHEMBL8251928 0.88 PDE5A (0.76) 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