SCHEMBL5377865

SCHEMBL5377865

NC(=O)c1c[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)c(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7134765 0.86 GRIN2B (0.53) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5378650 0.81 F2 (0.53) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5377860 0.78 GRIN2D (0.52) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5204359 0.77 SLC6A4 (0.63) GRIN2BF2PRSS1SLC6A4SLC6A3
SCHEMBL5383885 0.73 GPR84 (0.51) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5374582 0.72 GAA (0.47) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL7617666 0.71 MAPT (0.55) MAPTHTTGFERSMN1; SMN2GAA
SCHEMBL7129928 0.71 DRD2 (0.54) MAPTHTTMAPK14
SCHEMBL5734216 0.70 GAA (0.44) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5387265 0.70 GPR84 (0.52) GRIN2BMAPTHTTGFERSMN1; SMN2

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