SCHEMBL28523541

SCHEMBL28523541

CC(C)(C)OC(=O)N1CCC(Oc2ccc(CCO)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.53
USP30 Q70CQ3 1/20 0.53
PIK3CD O00329 3/20 0.47
CHEK2 O96017 2/20 0.45
S1PR3 Q99500 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL23355604 1.00 GPR119 (0.53) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL1375821 0.93 GPR119 (0.60) GPR119USP30CHEK2ALDH1A1
SCHEMBL7558762 0.90 GPR119 (0.52) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL7558767 0.90 GPR119 (0.52) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL5089073 0.87 GPR119 (0.54) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL15297678 0.87 GPR119 (0.56) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL3903090 0.86 USP30 (0.55) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL6925094 0.86 GPR119 (0.53) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL6926563 0.84 GPR119 (0.51) GPR119USP30PIK3CDCHEK2S1PR3
SCHEMBL24394583 0.84 GPR119 (0.51) GPR119USP30PIK3CDCHEK2S1PR3

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-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed