SCHEMBL16198831

SCHEMBL16198831

CCCOc1ccc(C(=O)N2CCCCC2)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.70
▸ PDE6D O43924 3/20 0.61
▸ PDE6A P16499 3/20 0.61
▸ PDE6G P18545 3/20 0.61
▸ PDE6B P35913 3/20 0.61
▸ PDE6C P51160 3/20 0.61
▸ PDE6H Q13956 3/20 0.61
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL16198833 0.92 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198830 0.92 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2563344 0.84 PDE5A (0.74) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567803 0.82 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16188246 0.82 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2568505 0.82 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198829 0.81 PDE5A (0.72) PDE5APDE6CHPGDHSD17B10
SCHEMBL16198818 0.81 PDE5A (0.64) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198820 0.80 PDE5A (0.65) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2562266 0.79 PDE5A (0.69) 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
Send feedback