SCHEMBL11052233

SCHEMBL11052233

CC(C)CNC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
PRMT5 O14744 2/20 0.57
WDR77 Q9BQA1 2/20 0.57
MAPT P10636 5/20 0.54
POLB P06746 3/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.54
USP2 O75604 2/20 0.54
KMT2A Q03164 2/20 0.54
HCRTR1 O43613 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.53
CA12 O43570 1/20 0.52

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
SCHEMBL11047821 0.83 MAPT (0.62) GAADRD2DRD3MAPTPOLB
SCHEMBL11052244 0.81 DRD2 (0.67) GAADRD2DRD3MAPTPOLB
SCHEMBL11049712 0.80 GAA (0.68) GAAMAPTPOLBMEN1USP2
SCHEMBL26238627 0.79 DRD2 (0.49) GAADRD2MAPTTP53MEN1
SCHEMBL11048848 0.78 DRD2 (0.71) GAADRD2DRD3MAPTPOLB
SCHEMBL7339643 0.78 GAA (1.00) GAADRD2DRD3MAPTPOLB
SCHEMBL7339654 0.78 GAA (1.00) GAADRD2DRD3MAPTPOLB
SCHEMBL11056826 0.78 MAPT (0.62) GAADRD2DRD3MAPTPOLB
SCHEMBL6771493 0.78 DRD2 (0.67) GAADRD2DRD3MAPTPOLB
SCHEMBL10401826 0.77 DRD2 (0.62) GAADRD2DRD3MAPTPOLB

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
US-4446133-A ANTIARTHRITIC AGENTS Misuitoatsu Chemicals, Inc. (JP) 1984-05-01 US disclosed