SCHEMBL4573144

SCHEMBL4573144

COc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.54
FAAH O00519 2/20 0.47
NR1H2 P55055 10/20 0.46
NR1H3 Q13133 9/20 0.46
CCR1 P32246 2/20 0.46
MAP4K4 O95819 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL8122303 1.00 SUV39H2 (0.54) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL4573145 0.91 SUV39H2 (0.56) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL4573153 0.91 SUV39H2 (0.56) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL4573188 0.87 SUV39H2 (0.53) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL4573192 0.87 SUV39H2 (0.53) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL8112263 0.87 SUV39H2 (0.53) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL4584889 0.87 SUV39H2 (0.53) SUV39H2FAAHNR1H2NR1H3CCR1
SCHEMBL8109701 0.86 SUV39H2 (0.49) SUV39H2FAAHNR1H2NR1H3MAP4K4
SCHEMBL4573558 0.86 SUV39H2 (0.49) SUV39H2FAAHNR1H2NR1H3MAP4K4
SCHEMBL19107117 0.86 NR1H2 (0.56) SUV39H2FAAHNR1H2NR1H3CCR1

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