SCHEMBL4573141

SCHEMBL4573141

COCCOc1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.50
CCR1 P32246 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
MAP4K4 O95819 1/20 0.44
FAAH O00519 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NR1H2 P55055 8/20 0.42
NR1H3 Q13133 7/20 0.42
HDAC1 Q13547 1/20 0.42
CHRM4 P08173 1/20 0.41

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
SCHEMBL4573668 1.00 SUV39H2 (0.50) SUV39H2CCR1GPR119MAP4K4FAAH
SCHEMBL8109925 0.90 SUV39H2 (0.48) SUV39H2CCR1GPR119MAP4K4FAAH
SCHEMBL4573063 0.90 SUV39H2 (0.48) SUV39H2CCR1GPR119MAP4K4FAAH
SCHEMBL4573153 0.90 SUV39H2 (0.56) SUV39H2CCR1GPR119MAP4K4FAAH
SCHEMBL4573145 0.90 SUV39H2 (0.56) SUV39H2CCR1GPR119MAP4K4FAAH
SCHEMBL4573197 0.87 CTSB (0.46) SUV39H2CCR1FAAHCTSBCTSS
SCHEMBL4585094 0.86 GPR119 (0.50) SUV39H2GPR119NR1H2NR1H3CHRM4
SCHEMBL4573160 0.85 SUV39H2 (0.47) SUV39H2GPR119MAP4K4NR1H2NR1H3
SCHEMBL8117347 0.85 SUV39H2 (0.47) SUV39H2GPR119MAP4K4NR1H2NR1H3
SCHEMBL21659668 0.85 GPR119 (0.49) SUV39H2GPR119MAP4K4FAAHNR1H2

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