SCHEMBL8295331

SCHEMBL8295331

CCC(C)N(C)c1nc(Nc2cc(C)ccn2)c2c(n1)c(C(=O)O)nn2CCOCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.56
KCNH2 Q12809 2/20 0.44

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
SCHEMBL331899 0.94 PDE5A (0.58) PDE5AKCNH2
SCHEMBL331941 0.90 PDE5A (0.68) PDE5AKCNH2
SCHEMBL332265 0.89 PDE5A (0.59) PDE5AKCNH2
SCHEMBL331421 0.86 PDE5A (0.60) PDE5AKCNH2
SCHEMBL331742 0.86 PDE5A (0.69) PDE5AKCNH2
SCHEMBL331641 0.85 PDE5A (0.62) PDE5AKCNH2
SCHEMBL13757005 0.84 PDE5A (0.54) PDE5AKCNH2
SCHEMBL331541 0.84 PDE5A (0.72) PDE5AKCNH2
SCHEMBL331626 0.84 PDE5A (0.57) PDE5AKCNH2
SCHEMBL2870991 0.82 PDE5A (0.70) 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-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO disclosed