SCHEMBL4584302

SCHEMBL4584302

COc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1Br

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
MAP4K4 O95819 1/20 0.48
HDAC1 Q13547 1/20 0.44
ROCK2 O75116 1/20 0.43
CHRM4 P08173 3/20 0.42
SUV39H2 Q9H5I1 2/20 0.42
MAPT P10636 1/20 0.38
HCRTR2 O43614 2/20 0.38
SETD7 Q8WTS6 1/20 0.38
PIK3CD O00329 4/20 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
SCHEMBL4584304 1.00 GPR119 (0.52) GPR119MAP4K4HDAC1ROCK2CHRM4
SCHEMBL18149683 0.87 GPR119 (0.54) GPR119MAP4K4HDAC1CHRM4SUV39H2
SCHEMBL18149684 0.87 GPR119 (0.54) GPR119MAP4K4HDAC1CHRM4SUV39H2
SCHEMBL4573090 0.86 CHRM4 (0.45) CHRM4HCRTR2PIK3CD
SCHEMBL4573572 0.86 GPR119 (0.51) GPR119MAP4K4HDAC1CHRM4SUV39H2
SCHEMBL8108991 0.86 GPR119 (0.51) GPR119MAP4K4HDAC1CHRM4SUV39H2
SCHEMBL1448124 0.83 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL12740848 0.83 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL1448125 0.83 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL4573301 0.82 MAP4K4 (0.58) GPR119MAP4K4HDAC1CHRM4SUV39H2

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