SCHEMBL4787883

SCHEMBL4787883

CC(C)(C)OC(=O)N1CCc2c(cccc2C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
ESR2 Q92731 1/20 0.52
MAPK1 P28482 1/20 0.51
UCHL1 P09936 1/20 0.50
SCN9A Q15858 1/20 0.48
PARP1 P09874 3/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
F12 P00748 3/20 0.46
ABHD6 Q9BV23 2/20 0.46
ADORA1 P30542 1/20 0.46
NAMPT P43490 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL1857142 0.89 UCHL1 (0.53) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL30647075 0.89 UCHL1 (0.53) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL19374775 0.88 DDB1 (0.52) NR1H2ESR2MAPK1UCHL1PARP1
SCHEMBL12312048 0.88 NR1H2 (0.50) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL21807308 0.86 UCHL1 (0.54) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL394214 0.85 NR1H2 (0.60) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL29526229 0.85 NR1H2 (0.60) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL2122847 0.83 MAPK1 (0.50) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL1958196 0.83 ESR2 (0.59) NR1H2ESR2MAPK1UCHL1SCN9A
SCHEMBL11997414 0.83 ESR2 (0.55) NR1H2ESR2MAPK1UCHL1SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed