SCHEMBL2569017

SCHEMBL2569017

CCCOc1ccc(NC(=O)CN2CCCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE6C P51160 2/20 0.86
PDE11A Q9HCR9 2/20 0.86
PDE1A P54750 1/20 0.86
PDE1B Q01064 1/20 0.86
PDE1C Q14123 1/20 0.86

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
SCHEMBL2559771 0.93 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL29540996 0.93 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
Hydrochloric Acid SCHEMBL21905136 0.92 PDE5A (0.98) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198862 0.92 PDE5A (0.85) PDE5APDE6CPDE11APDE1APDE1B
Hydrochloric Acid SCHEMBL21905144 0.91 PDE5A (0.97) PDE5APDE6CPDE11APDE1APDE1B
Acetic Acid SCHEMBL21905146 0.90 PDE5A (0.95) PDE5APDE6CPDE11APDE1APDE1B
Sulfuric Acid SCHEMBL21905135 0.90 PDE5A (0.94) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL21905145 0.90 PDE5A (0.94) PDE5APDE6CPDE11APDE1APDE1B
Succinic Acid SCHEMBL21905140 0.89 PDE5A (0.92) PDE5APDE6CPDE11APDE1APDE1B
Succinic Acid SCHEMBL21905139 0.89 PDE5A (0.92) 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 9 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
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
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