SCHEMBL5732389

SCHEMBL5732389

CC(C)n1c(N2CCC(Cc3ccccc3)CC2)cc2ccc(C(N)=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
HDAC6 Q9UBN7 1/20 0.46
ACHE P22303 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
F2 P00734 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP14 Q460N5 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
SCHEMBL5377677 0.92 GAA (0.50) GAAHDAC6ACHEKCNH2HRH3
SCHEMBL5732388 0.83 GAA (0.49) GAAHDAC6ACHEF2TNKS
SCHEMBL5374200 0.81 GAA (0.45) GAAHDAC6ACHEF2SIGMAR1
SCHEMBL5371447 0.81 HDAC6 (0.55) GAAHDAC6ACHEF2TNKS
SCHEMBL5375990 0.79 GAA (0.51) GAAHDAC6ACHEF2TNKS
SCHEMBL7220278 0.79 GAA (0.45) GAAHDAC6ACHEF2TNKS
SCHEMBL5377672 0.77 HDAC6 (0.49) GAAHDAC6ACHEF2TNKS
SCHEMBL5369583 0.77 GAA (0.45) GAAHDAC6ACHEF2TNKS
SCHEMBL5374870 0.77 GAA (0.51) GAAHDAC6ACHEF2TNKS
SCHEMBL7073760 0.76 SIGMAR1 (0.47) GAAHDAC6ACHEF2SIGMAR1

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
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed