SCHEMBL8254185

SCHEMBL8254185

COc1ccc(-c2cnc3nc(NCC4CCOCC4)c(=O)n(CCOCC(F)(F)F)c3c2)cn1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.83
PDE6A P16499 18/20 0.83

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
SCHEMBL8255136 0.91 PDE5A (1.00) PDE5APDE6A
SCHEMBL8251880 0.87 PDE5A (0.83) PDE5APDE6A
SCHEMBL8251894 0.83 PDE5A (0.85) PDE5APDE6A
SCHEMBL8250908 0.82 PDE5A (0.83) PDE5APDE6A
SCHEMBL8255200 0.81 PDE5A (0.68) PDE5APDE6A
SCHEMBL8252098 0.80 PDE5A (0.84) PDE5APDE6A
SCHEMBL6073321 0.80 PDE5A (0.80) PDE5APDE6A
SCHEMBL8251844 0.80 PDE5A (0.79) PDE5APDE6A
SCHEMBL8252085 0.79 PDE5A (0.78) PDE5APDE6A
SCHEMBL8255137 0.79 PDE5A (0.78) 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