SCHEMBL28617445

SCHEMBL28617445

CC(CNc1ccc(-n2ccccc2=O)cn1)COC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.41
PCSK9 Q8NBP7 3/20 0.40
KCNH2 Q12809 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL22241683 0.83 PCSK9 (0.44) F10PCSK9KCNH2HCAR3HCAR2
SCHEMBL22230066 0.82 PCSK9 (0.46) F10PCSK9KCNH2HCAR3HCAR2
SCHEMBL22241684 0.79 PCSK9 (0.54) F10PCSK9KCNH2
SCHEMBL22406220 0.77 F10 (0.39) F10PCSK9KCNH2HCAR3HCAR2
SCHEMBL28635345 0.76 HCAR3 (0.43) HCAR3HCAR2
SCHEMBL28622479 0.76 FDPS (0.49) PCSK9
SCHEMBL28627403 0.75 PCSK9 (0.56) PCSK9KCNH2
SCHEMBL31244877 0.75 PCSK9 (0.70) PCSK9
SCHEMBL22230052 0.75 PCSK9 (0.70) PCSK9
SCHEMBL28622420 0.72 PCSK9 (0.57) F10PCSK9

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
CN-113574055-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
CN-113412258-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-17 CN disclosed