SCHEMBL16198847

SCHEMBL16198847

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.59
▸ PDE6C P51160 2/20 0.52
▸ PDE11A Q9HCR9 2/20 0.52
▸ PDE1A P54750 1/20 0.52
▸ PDE1B Q01064 1/20 0.52
▸ PDE1C Q14123 1/20 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
SCHEMBL16198850 0.91 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198841 0.89 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198843 0.87 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198842 0.85 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198856 0.85 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2563181 0.85 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198848 0.84 PDE5A (0.61) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2566999 0.83 PDE5A (0.70) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198852 0.83 PDE5A (0.65) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16188188 0.82 PDE5A (0.69) 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
Send feedback