SCHEMBL16198832

SCHEMBL16198832

CCCOc1ccc(N(C)C)cc1-c1nc(CC)c(CC)c(=O)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.73
▸ PDE6C P51160 2/20 0.59
▸ PDE11A Q9HCR9 2/20 0.59
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55

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
SCHEMBL17888952 0.87 PDE5A (0.67) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16188216 0.86 PDE5A (0.66) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565276 0.85 PDE5A (0.78) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565584 0.85 PDE5A (0.65) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565095 0.84 PDE5A (0.76) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2569020 0.84 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2567867 0.84 PDE5A (0.76) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16188311 0.84 PDE5A (0.63) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2564915 0.83 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198864 0.83 PDE5A (0.61) PDE5APDE6CPDE11APDE1APDE1B

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
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 — — US disclosed
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