SCHEMBL5387256

SCHEMBL5387256

NC(=O)c1[nH]c2cc(Cl)ccc2c1N1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MDM4 O15151 2/20 0.41
MDM2 Q00987 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 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
SCHEMBL7078851 0.77 MEN1 (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5378331 0.72 GRIN1 (0.42) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5376292 0.71 MAPK14 (0.46) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5735196 0.68 GMNN (0.43) ALOX15GRIN1GRIN2BGMNNTP53
SCHEMBL5806708 0.67 MEN1 (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5374691 0.67 GAA (0.47) GRIN1GRIN2BRPS6KB1GRIN2DGRIN3B
SCHEMBL5374169 0.67 MAPK14 (0.42) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL27943768 0.66 MEN1 (0.54) MAPK14
SCHEMBL21614171 0.65 MEN1 (0.53) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5372928 0.65 MAPK14 (0.48) MAPK14

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 6 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
CN-1305464-A Heterocyclic compounds and methods to treat cardiac failure and other disorders SCIOS INC (US) 2001-07-25 CN 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
CN-1229351-C Heterocyclic compounds and methods to treat cardiac failure and other disorders SCIOS INC (US) 2005-11-30 CN disclosed