SCHEMBL4573572

SCHEMBL4573572

COc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
MAP4K4 O95819 1/20 0.46
CHRM4 P08173 2/20 0.43
HDAC1 Q13547 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.41
HCRTR2 O43614 3/20 0.39
PIK3CD O00329 6/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL8108991 1.00 GPR119 (0.51) GPR119MAP4K4CHRM4HDAC1SUV39H2
SCHEMBL4572967 0.86 CHRM4 (0.46) CHRM4HCRTR2PIK3CDPIK3R1
SCHEMBL4584304 0.86 GPR119 (0.52) GPR119MAP4K4CHRM4HDAC1SUV39H2
SCHEMBL4584302 0.86 GPR119 (0.52) GPR119MAP4K4CHRM4HDAC1SUV39H2
SCHEMBL8109939 0.85 MAP4K4 (0.56) GPR119MAP4K4CHRM4HDAC1SUV39H2
SCHEMBL4573828 0.85 MAP4K4 (0.56) GPR119MAP4K4CHRM4HDAC1SUV39H2
SCHEMBL8107805 0.80 HDAC1 (0.49) GPR119MAP4K4HDAC1SUV39H2PIK3CD
SCHEMBL4573072 0.80 MAP4K4 (0.51) GPR119MAP4K4HDAC1SUV39H2PIK3CD
SCHEMBL4573109 0.80 MAP4K4 (0.51) GPR119MAP4K4HDAC1SUV39H2PIK3CD
SCHEMBL23560775 0.78 GPR119 (0.62) GPR119MAP4K4HDAC1SUV39H2

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed