SCHEMBL8300021

SCHEMBL8300021

CCOCCn1nc(C)c2nc(N3CCNC(CC)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 0.62

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
SCHEMBL8261391 0.92 PDE5A (0.86) PDE5AKCNH2
SCHEMBL5247246 0.90 PDE5A (0.78) PDE5AKCNH2
SCHEMBL5246095 0.90 PDE5A (0.78) PDE5AKCNH2
SCHEMBL5248592 0.89 PDE5A (0.67) PDE5AKCNH2
SCHEMBL5246377 0.89 PDE5A (0.67) PDE5AKCNH2
SCHEMBL8243114 0.88 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5247530 0.88 PDE5A (0.72) PDE5AKCNH2
SCHEMBL5245905 0.88 PDE5A (0.72) PDE5AKCNH2
SCHEMBL8240743 0.87 PDE5A (0.77) PDE5AKCNH2
SCHEMBL8245307 0.85 PDE5A (0.79) 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-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 WO disclosed