SCHEMBL2876646

SCHEMBL2876646

CCCN(C)c1nc(Nc2cc(C)ccn2)c2c(n1)c(OC(=O)O)nn2CCOCC

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.64
KCNH2 Q12809 2/20 0.52

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
SCHEMBL2877359 0.91 PDE5A (0.62) PDE5AKCNH2
SCHEMBL331348 0.90 PDE5A (0.71) PDE5AKCNH2
SCHEMBL2874928 0.87 PDE5A (0.70) PDE5AKCNH2
SCHEMBL2877278 0.87 PDE5A (0.55) PDE5AKCNH2
SCHEMBL2878847 0.85 PDE5A (0.61) PDE5AKCNH2
SCHEMBL2878701 0.83 PDE5A (0.80) PDE5AKCNH2
SCHEMBL8242052 0.83 PDE5A (0.64) PDE5AKCNH2
SCHEMBL2877292 0.83 PDE5A (0.57) PDE5AKCNH2
SCHEMBL2878765 0.82 PDE5A (0.51) PDE5AKCNH2
SCHEMBL4699840 0.81 PDE5A (0.73) 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
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP claimed