SCHEMBL4573259

SCHEMBL4573259

COc1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.48
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
FAAH O00519 2/20 0.45
STS P08842 1/20 0.44
HDAC1 Q13547 1/20 0.44
MAPT P10636 2/20 0.43
SETD7 Q8WTS6 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKG1 Q13976 1/20 0.42
CPS1 P31327 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
SLC6A9 P48067 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL8108230 1.00 SUV39H2 (0.48) SUV39H2MAP4K4GPR119FAAHSTS
SCHEMBL28094394 0.88 MAP4K4 (0.49) SUV39H2MAP4K4GPR119HDAC1MAPT
SCHEMBL4573168 0.85 SLC6A9 (0.46) FAAHMAPTROCK2PRKG1CPS1
SCHEMBL21280226 0.84 MAPT (0.58) SUV39H2MAP4K4GPR119MAPTALDH1A1
SCHEMBL4573145 0.80 SUV39H2 (0.56) SUV39H2MAP4K4GPR119FAAH
SCHEMBL4573153 0.80 SUV39H2 (0.56) SUV39H2MAP4K4GPR119FAAH
SCHEMBL4573445 0.79 MAP4K4 (0.54) SUV39H2MAP4K4GPR119FAAHHDAC1
SCHEMBL1904867 0.78 SUV39H2 (0.48) SUV39H2MAP4K4GPR119HDAC1MAPT
SCHEMBL1062063 0.78 GALR2 (0.51) SUV39H2GPR119STSMAPTALDH1A1
SCHEMBL1900868 0.78 SUV39H2 (0.48) SUV39H2MAP4K4GPR119HDAC1MAPT

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