SCHEMBL5378327

SCHEMBL5378327

NC(=O)c1ccc2c(ccn2N2CCC(Cc3ccc(F)cc3)CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.40
MAPK14 Q16539 2/20 0.40
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 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
SCHEMBL5383884 0.90 GAA (0.47) CCR3MAPK14GAA
SCHEMBL5374166 0.85 MAPK14 (0.40) CCR3MAPK14
SCHEMBL5376287 0.81 MAPK14 (0.43) CCR3MAPK14GMNNTP53CYP3A4
SCHEMBL5365947 0.75 MEN1 (0.48) MAPK14GAA
SCHEMBL5732819 0.75 MEN1 (0.46) CCR3MAPK14
SCHEMBL5378331 0.74 GRIN1 (0.42) MAPK14GRIN1GRIN2B
SCHEMBL5374688 0.71 GAA (0.47) GAA
SCHEMBL5374204 0.70 CYP2C9 (0.47) MAPK14GAA
SCHEMBL5806708 0.68 MEN1 (0.55) CCR3MAPK14GRIN1GRIN2B
SCHEMBL5735196 0.67 GMNN (0.43) CCR3GMNNTP53CYP3A4ALOX15

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 claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US 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