SCHEMBL5369714

SCHEMBL5369714

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL5203581 0.84 GAA (0.54) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5735093 0.83 HDAC6 (0.49) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7373279 0.83 SLC6A2 (0.51) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7376190 0.83 SCN9A (0.55) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5369718 0.82 HDAC6 (0.48) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7369193 0.81 CHRM2 (0.51) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5374205 0.80 HDAC6 (0.45) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7371819 0.77 GPR84 (0.47) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5369807 0.77 HDAC6 (0.47) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5367998 0.76 MEN1 (0.52) GPR84GRIN2BGRIN2DGRIN3BGRIN1

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 4 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 claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed