SCHEMBL5374061

SCHEMBL5374061

NC(=O)c1ccc2c(c1)cc(N1CCC(Cc3ccccc3)CC1)n2C(=O)CCNCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
F2 P00734 3/20 0.44
HDAC6 Q9UBN7 1/20 0.43
HTR7 P34969 4/20 0.43
GRIN2B Q13224 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL5371611 0.88 HDAC6 (0.44) GAAF2HDAC6HTR7GRIN2B
SCHEMBL7220084 0.81 HTR7 (0.46) HDAC6HTR7SLC6A2SLC6A4MEN1
SCHEMBL5368021 0.81 GAA (0.48) GAAF2HDAC6GRIN2BTNKS
SCHEMBL5371447 0.79 HDAC6 (0.55) GAAF2HDAC6TNKSPARP1
SCHEMBL5374870 0.78 GAA (0.51) GAAF2HDAC6TNKSPARP1
SCHEMBL5375990 0.78 GAA (0.51) GAAF2HDAC6TNKSPARP1
SCHEMBL5377677 0.77 GAA (0.50) GAAF2HDAC6TNKSPARP1
SCHEMBL5377672 0.76 HDAC6 (0.49) GAAF2HDAC6TNKSPARP1
SCHEMBL7073760 0.76 SIGMAR1 (0.47) GAAF2HDAC6HTR7ACHE
SCHEMBL5369137 0.74 GAA (0.47) GAAF2HDAC6TNKSPARP1

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 3 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