SCHEMBL7522232

SCHEMBL7522232

CC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(C(=O)O)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 14/20 0.53
CTSK P43235 2/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL7521871 0.94 SUV39H2 (0.51) SUV39H2DRD2DRD3CKS1BSKP1
SCHEMBL25703973 0.86 SUV39H2 (0.54) SUV39H2KDM4D
SCHEMBL25285177 0.86 SUV39H2 (0.54) SUV39H2KDM4D
SCHEMBL25453975 0.86 SUV39H2 (0.55) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12841264 0.83 SUV39H2 (0.52) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL30424379 0.83 SUV39H2 (0.64) SUV39H2
SCHEMBL1800785 0.82 SUV39H2 (0.54) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL4580200 0.82 CTSK (0.50) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL4580205 0.82 CTSK (0.50) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL27655935 0.82 SUV39H2 (0.54) SUV39H2DRD2DRD3CKS1BSKP1

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
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed