SCHEMBL5374200

SCHEMBL5374200

CCN(CC)C(C)n1c(N2CCC(Cc3ccccc3)CC2)cc2cc(C(N)=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
F2 P00734 3/20 0.43
ACHE P22303 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP14 Q460N5 1/20 0.40
MGLL Q99685 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL7220278 0.90 GAA (0.45) GAAHDAC6F2ACHETNKS
SCHEMBL5377677 0.89 GAA (0.50) GAAHDAC6F2ACHETNKS
SCHEMBL5387168 0.84 MEN1 (0.49) ACHEOPRM1
SCHEMBL5375990 0.82 GAA (0.51) GAAHDAC6F2ACHETNKS
SCHEMBL5371447 0.82 HDAC6 (0.55) GAAHDAC6F2ACHETNKS
SCHEMBL5369137 0.82 GAA (0.47) GAAHDAC6F2ACHETNKS
SCHEMBL5732389 0.81 GAA (0.50) GAAHDAC6F2ACHETNKS
SCHEMBL5377672 0.81 HDAC6 (0.49) GAAHDAC6F2ACHETNKS
SCHEMBL5374870 0.78 GAA (0.51) GAAHDAC6F2ACHETNKS
SCHEMBL5371611 0.77 HDAC6 (0.44) GAAHDAC6F2ACHETNKS

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 5 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
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