SCHEMBL16198872

SCHEMBL16198872

CCCOc1ccc(CN2CCN(C)CC2)cc1-c1nc(C(C)C)c(Cl)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.71
▸ PDE6C P51160 3/20 0.57
▸ PDE6D O43924 2/20 0.57
▸ PDE6A P16499 2/20 0.57
▸ PDE6G P18545 2/20 0.57
▸ PDE6B P35913 2/20 0.57
▸ PDE6H Q13956 2/20 0.57
▸ PDE1A P54750 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PDE1C Q14123 1/20 0.47
▸ PDE11A Q9HCR9 1/20 0.47

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
SCHEMBL16198798 0.93 PDE5A (0.70) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198805 0.90 PDE5A (0.70) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198866 0.90 PDE5A (0.71) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198796 0.90 PDE5A (0.73) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198868 0.88 PDE5A (0.70) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL16198804 0.85 PDE5A (0.71) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198812 0.84 PDE5A (0.72) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198789 0.83 PDE5A (0.69) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2568256 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198810 0.82 PDE5A (0.56) PDE5APDE6CPDE6DPDE6APDE6G

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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