SCHEMBL5377983

SCHEMBL5377983

NC(=O)c1ccc2c(C(=O)C(F)(F)F)c(N3CCC(Cc4ccccc4)CC3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.41
NR3C1 P04150 2/20 0.40
MAPT P10636 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
ACHE P22303 1/20 0.40
MAP2K7 O14733 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL5374143 0.93 MEN1 (0.48) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5733851 0.76 MEN1 (0.50) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5733660 0.74 GAA (0.54) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5204085 0.74 CYP2C9 (0.50) GAAMEN1KMT2A
SCHEMBL5377979 0.73 GAA (0.47) GAAMEN1KMT2ATNKSPARP1
SCHEMBL5369147 0.73 MEN1 (0.49) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5372873 0.73 CHEK2 (0.57) GAAGRIN1GRIN2B
SCHEMBL5203581 0.72 GAA (0.54) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5374214 0.72 MEN1 (0.49) GAAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5367501 0.72 GAA (0.52) GAAMEN1KMT2ANR3C1MAPT

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