SCHEMBL4046910

SCHEMBL4046910

CCc1nn(CCOCC(F)(F)F)c2c(Nc3cc(C)ncn3)nc(N3CCC(OC(=O)O)CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.60
KCNH2 Q12809 4/20 0.59

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
SCHEMBL4039435 0.92 PDE5A (0.58) PDE5AKCNH2
SCHEMBL4036024 0.92 PDE5A (0.68) PDE5AKCNH2
SCHEMBL13810152 0.85 PDE5A (0.66) PDE5AKCNH2
SCHEMBL4039428 0.84 PDE5A (0.66) PDE5AKCNH2
SCHEMBL4039875 0.82 PDE5A (0.74) PDE5AKCNH2
SCHEMBL4041800 0.79 PDE5A (0.56) PDE5AKCNH2
SCHEMBL4036220 0.78 PDE5A (0.79) PDE5AKCNH2
SCHEMBL5247757 0.78 PDE5A (0.73) PDE5AKCNH2
SCHEMBL5247408 0.78 PDE5A (0.81) PDE5AKCNH2
SCHEMBL5248317 0.77 PDE5A (0.81) 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-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP claimed