SCHEMBL16198852

SCHEMBL16198852

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.65
▸ 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
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL16188188 0.88 PDE5A (0.69) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198854 0.86 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198850 0.85 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198845 0.85 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198843 0.84 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198841 0.84 PDE5A (0.60) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198849 0.84 PDE5A (0.61) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL17888957 0.83 PDE5A (0.64) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16188217 0.83 PDE5A (0.64) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198847 0.83 PDE5A (0.59) 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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