SCHEMBL2563459

SCHEMBL2563459

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)cc(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ PDE6C P51160 2/20 0.72
▸ PDE6D O43924 1/20 0.72
▸ PDE6A P16499 1/20 0.72
▸ PDE6G P18545 1/20 0.72
▸ PDE6B P35913 1/20 0.72
▸ PDE6H Q13956 1/20 0.72
▸ PDE11A Q9HCR9 1/20 0.67

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
SCHEMBL2562537 0.93 PDE5A (0.86) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2562272 0.87 PDE5A (1.00) PDE5APDE6CPDE11A
SCHEMBL2563964 0.87 PDE5A (0.81) PDE5APDE6CPDE11A
SCHEMBL2563794 0.87 PDE5A (0.81) PDE5APDE6CPDE11A
SCHEMBL2559675 0.84 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2566273 0.84 PDE5A (1.00) PDE5APDE6CPDE11A
SCHEMBL2568844 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2568256 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2564842 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2567638 0.83 PDE5A (1.00) PDE5APDE6CPDE11A

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 7 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 claimed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 — — US claimed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 — — EP claimed
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
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 — — EP disclosed
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