SCHEMBL16198833

SCHEMBL16198833

CCCOc1ccc(C(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.79
PDE6D O43924 3/20 0.69
PDE6A P16499 3/20 0.69
PDE6G P18545 3/20 0.69
PDE6B P35913 3/20 0.69
PDE6C P51160 3/20 0.69
PDE6H Q13956 3/20 0.69

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
SCHEMBL16198831 0.92 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198830 0.91 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567803 0.88 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2563344 0.83 PDE5A (0.74) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198796 0.83 PDE5A (0.73) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198865 0.82 PDE5A (0.72) PDE5APDE6C
SCHEMBL16188246 0.81 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2564842 0.81 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2568505 0.81 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198804 0.79 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B

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