SCHEMBL5378646

SCHEMBL5378646

NC(=O)c1cc2cc(N3CCC(Cc4ccccc4)CC3)c(Cl)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GRIN2D O15399 3/20 0.52
GRIN3B O60391 3/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2B Q13224 3/20 0.52
GRIN2C Q14957 3/20 0.52
GRIN3A Q8TCU5 3/20 0.52
NPC1 O15118 1/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 1/20 0.48
GPR84 Q9NQS5 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5204351 0.82 SLC6A2 (0.63) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL5377860 0.82 GRIN2D (0.52) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL5374207 0.80 GPR84 (0.52) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7076396 0.80 GRIN2D (0.60) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL5378650 0.79 F2 (0.53) GRIN2BSLC6A4SLC6A3MAPTHTT
SCHEMBL5387265 0.78 GPR84 (0.52) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL5377680 0.76 CYP2C9 (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL5377683 0.74 CYP2C9 (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL30301376 0.73 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL27015752 0.73 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3

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 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
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 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