SCHEMBL31473140

SCHEMBL31473140

C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
GHSR Q92847 18/20 0.33
ROCK2 O75116 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
SCHEMBL11999069 0.75 GHSR (0.40) GHSR
SCHEMBL31473153 0.74 ROCK2 (0.36) ABCG2ROCK2
SCHEMBL31473141 0.71 CAPN1 (0.35)
SCHEMBL25021840 0.69 GHSR (0.34) GHSR
SCHEMBL31473163 0.69 SMN1; SMN2 (0.49) ABCG2
SCHEMBL18589459 0.68 GHSR (0.48) GHSRROCK2
SCHEMBL20747194 0.68 GHSR (0.48) GHSRROCK2
SCHEMBL18577397 0.68 GHSR (0.48) GHSRROCK2
SCHEMBL24579108 0.67 PLA2G10 (0.62) GHSR
SCHEMBL31473159 0.67 GHSR (0.33) GHSR

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