SCHEMBL16198840

SCHEMBL16198840

CCCOc1ccc(C(=O)NCCC2CCCN2C)cc1-c1nc(CC)c(CC)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.59
▸ PDE6C P51160 2/20 0.55
▸ PDE11A Q9HCR9 2/20 0.55
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ TLR9 Q9NR96 1/20 0.51
▸ TLR8 Q9NR97 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.51

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
SCHEMBL16198839 0.85 PDE5A (0.56) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16199262 0.84 PDE5A (0.73) PDE5APDE6CPDE11A
SCHEMBL16188189 0.83 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198870 0.83 PDE5A (0.67) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2566787 0.82 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565794 0.82 PDE5A (0.63) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2569995 0.81 PDE5A (0.66) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565050 0.81 PDE5A (0.61) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2563968 0.81 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2564557 0.81 PDE5A (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 — — EP disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 — — US disclosed
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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