SCHEMBL4584298

SCHEMBL4584298

COc1cnc(Br)c(N2CCN(C(=O)OC(C)(C)C)C(C)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
SUV39H2 Q9H5I1 2/20 0.44
HDAC1 Q13547 1/20 0.44
SETD7 Q8WTS6 2/20 0.38
NR1H2 P55055 6/20 0.36
NR1H3 Q13133 4/20 0.36
PIK3CD O00329 2/20 0.36
KIT P10721 1/20 0.35
GRM1 Q13255 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL8116228 1.00 MAP4K4 (0.48) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL4573360 0.86 KIT (0.37) PIK3CDKITGRM1
SCHEMBL4573909 0.86 MAP4K4 (0.46) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL8108577 0.86 MAP4K4 (0.46) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL8117739 0.81 MAP4K4 (0.52) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL4573401 0.81 MAP4K4 (0.52) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL4584408 0.80 MAP4K4 (0.52) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL8113244 0.80 MAP4K4 (0.52) MAP4K4GPR119SUV39H2HDAC1SETD7
SCHEMBL8110534 0.78 CHRM4 (0.53) MAP4K4GPR119SUV39H2HDAC1NR1H2
SCHEMBL4584304 0.77 GPR119 (0.52) MAP4K4GPR119SUV39H2HDAC1SETD7

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