SCHEMBL5374205

SCHEMBL5374205

CCN(CC)C(C)NC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
GPR84 Q9NQS5 1/20 0.44
GRIN2B Q13224 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
CHRM2 P08172 1/20 0.41
SCN9A Q15858 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL5370231 0.92 SCN9A (0.42) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7369193 0.89 CHRM2 (0.51) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL7373279 0.85 SLC6A2 (0.51) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL7376190 0.84 SCN9A (0.55) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5369718 0.83 HDAC6 (0.48) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5735093 0.83 HDAC6 (0.49) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5365819 0.82 HDAC6 (0.44) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5369714 0.80 GPR84 (0.48) HDAC6GPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5203581 0.79 GAA (0.54) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5369807 0.79 HDAC6 (0.47) HDAC6GPR84GRIN2BGRIN2DGRIN3B

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