SCHEMBL5369147

SCHEMBL5369147

CCN(CC)Cc1c(N2CCC(Cc3ccccc3)CC2)[nH]c2ccc(C(N)=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.45
NR3C1 P04150 4/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MAP2K7 O14733 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP14 Q460N5 1/20 0.40
GPR84 Q9NQS5 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
SCHEMBL5374214 0.83 MEN1 (0.49) MEN1KMT2AGAANR3C1MAPT
SCHEMBL7220283 0.82 MEN1 (0.48) MEN1KMT2AGAANR3C1MAPT
SCHEMBL5367501 0.81 GAA (0.52) MEN1KMT2AGAANR3C1MAPT
SCHEMBL5733851 0.80 MEN1 (0.50) MEN1KMT2AGAANR3C1MAPT
SCHEMBL5375992 0.79 MEN1 (0.53) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL5374143 0.78 MEN1 (0.48) MEN1KMT2AGAANR3C1MAPT
SCHEMBL5369143 0.76 MEN1 (0.51) MEN1KMT2ANR3C1MAPTKDM4E
SCHEMBL5204085 0.76 CYP2C9 (0.50) MEN1KMT2AGAA
SCHEMBL5203581 0.73 GAA (0.54) MEN1KMT2AGAAALDH1A1GRIN2D
SCHEMBL5377983 0.73 GAA (0.47) MEN1KMT2AGAANR3C1MAPT

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