SCHEMBL22337993

SCHEMBL22337993

CC[SH](C)(C#Cc1cnc(OC2CC(C)N(C(=O)OC(C)(C)C)C2)cn1)(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.44
PIK3CD O00329 1/20 0.42
CACNB4 O00305 2/20 0.33
CACNA1A O00555 2/20 0.33
CACNA1G O43497 2/20 0.33
CACNG3 O60359 2/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1H O95180 2/20 0.33
CACNB3 P54284 2/20 0.33
CACNA2D1 P54289 2/20 0.33
CACNG7 P62955 2/20 0.33
CACNA1B Q00975 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNB1 Q02641 2/20 0.33
CACNG1 Q06432 2/20 0.33
CACNB2 Q08289 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
CACNA1E Q15878 2/20 0.33
CACNA2D4 Q7Z3S7 2/20 0.33

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
SCHEMBL29496515 0.86 GPR119 (0.44) GPR119PIK3CDDGAT1GRM5
SCHEMBL31128772 0.83 PIK3CD (0.45) GPR119PIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL31051492 0.83 PIK3CD (0.45) GPR119PIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL22337416 0.78 PIK3CD (0.44) GPR119PIK3CDDGAT1HDAC1
SCHEMBL22337417 0.78 PIK3CD (0.44) GPR119PIK3CDDGAT1HDAC1
SCHEMBL23377679 0.75 PIK3CD (0.49) GPR119PIK3CD
SCHEMBL21665749 0.74 GPR119 (0.67) GPR119PIK3CD
SCHEMBL30938143 0.74 GPR119 (0.67) GPR119PIK3CD
SCHEMBL23377710 0.74 HCRTR1 (0.47) GPR119PIK3CDDGAT1
SCHEMBL23377549 0.74 PIK3CD (0.46) GPR119PIK3CD

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
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed