SCHEMBL5374870

SCHEMBL5374870

NC(=O)c1ccc2c(c1)cc(N1CCC(Cc3ccccc3)CC1)n2CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
F2 P00734 4/20 0.49
ACHE P22303 1/20 0.48
HDAC6 Q9UBN7 2/20 0.46
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
SCHEMBL5375990 0.90 GAA (0.51) GAAF2ACHEHDAC6TNKS
SCHEMBL5377672 0.88 HDAC6 (0.49) GAAF2ACHEHDAC6TNKS
SCHEMBL5369137 0.85 GAA (0.47) GAAF2ACHEHDAC6TNKS
SCHEMBL5371447 0.85 HDAC6 (0.55) GAAF2ACHEHDAC6TNKS
SCHEMBL5378067 0.85 SLC6A2 (0.45) GAAF2ACHEHDAC6
SCHEMBL5377677 0.83 GAA (0.50) GAAF2ACHEHDAC6TNKS
SCHEMBL5378794 0.82 GRIN1 (0.48) GAAACHE
SCHEMBL5368021 0.81 GAA (0.48) GAAF2ACHEHDAC6TNKS
SCHEMBL5732388 0.80 GAA (0.49) GAAF2ACHEHDAC6TNKS
SCHEMBL5374200 0.78 GAA (0.45) GAAF2ACHEHDAC6TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed