SCHEMBL31473153

SCHEMBL31473153

CC1C(=O)NC(COC(C)(C)C)C(=O)N1Cc1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL31473155 0.76 FSHR (0.31)
SCHEMBL31473140 0.74 ABCG2 (0.35) ROCK2ABCG2
SCHEMBL21985842 0.68 MMP1 (0.51) MMP1MMP3MMP9
SCHEMBL21910453 0.68 MMP1 (0.51) MMP1MMP3MMP9
SCHEMBL23040054 0.62 MMP1 (0.48) MMP1MMP3MMP9
SCHEMBL3557914 0.62 MMP1 (0.54) MMP1MMP3MMP9
SCHEMBL11959439 0.62 MMP1 (0.48) MMP1MMP3MMP9
SCHEMBL5760263 0.62 MMP1 (0.54) MMP1MMP3MMP9
SCHEMBL10134835 0.62 MMP1 (0.48) MMP1MMP3MMP9
SCHEMBL23040234 0.62 MMP1 (0.48) MMP1MMP3MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed