SCHEMBL5383002

SCHEMBL5383002

CCCNC(=O)c1ccc2c(c1)cc(N1CCC(Cc3ccccc3)CC1)n2N(CC)CC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
HDAC6 Q9UBN7 2/20 0.49
TMEM97 Q5BJF2 3/20 0.45
CCR3 P51677 3/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5365880 0.85 SLC6A2 (0.41) SLC6A2SLC6A4HDAC6TMEM97CCR3
SCHEMBL5365936 0.84 DRD2 (0.47) SLC6A2SLC6A4CCR3LMNASMN1; SMN2
SCHEMBL5377672 0.74 HDAC6 (0.49) SLC6A2SLC6A4HDAC6MAPK1
SCHEMBL5369137 0.74 GAA (0.47) HDAC6SMN1; SMN2
SCHEMBL5375990 0.74 GAA (0.51) HDAC6
SCHEMBL5378067 0.73 SLC6A2 (0.45) SLC6A2SLC6A4HDAC6TMEM97CCR3
SCHEMBL5371447 0.73 HDAC6 (0.55) SLC6A2SLC6A4HDAC6
SCHEMBL5374200 0.73 GAA (0.45) HDAC6
SCHEMBL7220278 0.72 GAA (0.45) HDAC6
SCHEMBL5377677 0.71 GAA (0.50) HDAC6

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