SCHEMBL8255200

SCHEMBL8255200

COc1ccc(-c2cnc3nc(NCC(=O)OC(C)(C)C)c(=O)n(CCOCC(F)(F)F)c3c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68
PDE6A P16499 19/20 0.68

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
SCHEMBL8253323 0.84 PDE5A (0.77) PDE5APDE6A
SCHEMBL8254185 0.81 PDE5A (0.83) PDE5APDE6A
SCHEMBL8251880 0.81 PDE5A (0.83) PDE5APDE6A
SCHEMBL8243989 0.80 PDE5A (1.00) PDE5APDE6A
SCHEMBL8243763 0.80 PDE5A (0.76) PDE5APDE6A
SCHEMBL8245566 0.80 PDE5A (0.80) PDE5APDE6A
SCHEMBL8244554 0.80 PDE5A (1.00) PDE5APDE6A
SCHEMBL5808546 0.79 PDE5A (0.81) PDE5APDE6A
SCHEMBL8250208 0.79 PDE5A (0.86) PDE5APDE6A
SCHEMBL8251444 0.79 PDE5A (0.80) 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