SCHEMBL8245307

SCHEMBL8245307

CCOCCn1nc(C)c2nc(N3CCN(C)[C@@H](C)C3)nc(Nc3cc(C)ccn3)c21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.79
KCNH2 Q12809 2/20 0.60

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
SCHEMBL5243822 0.92 PDE5A (0.80) PDE5AKCNH2
SCHEMBL5244793 0.88 PDE5A (1.00) PDE5AKCNH2
SCHEMBL13810209 0.88 PDE5A (0.71) PDE5AKCNH2
SCHEMBL8261391 0.88 PDE5A (0.86) PDE5AKCNH2
SCHEMBL12768920 0.86 PDE5A (0.77) PDE5AKCNH2
SCHEMBL8236337 0.85 PDE5A (0.76) PDE5AKCNH2
SCHEMBL8300021 0.85 PDE5A (0.79) PDE5AKCNH2
SCHEMBL8243114 0.85 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5426271 0.85 PDE5A (0.76) PDE5AKCNH2
SCHEMBL12840899 0.83 PDE5A (0.78) PDE5AKCNH2

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-2007054778-A1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-05-18 WO disclosed