SCHEMBL3828607

SCHEMBL3828607

CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C(=O)O)cc2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 14/20 0.67
GRIA2 P42262 3/20 0.58
GRIA1 P42261 1/20 0.58
GRIA3 P42263 1/20 0.58
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL8164711 1.00 GRIA4 (0.67) GRIA4GRIA2GRIA1GRIA3SCN5A
SCHEMBL338352 0.88 GRIA4 (0.54) GRIA4GRIA2GRIA1GRIA3SCN5A
SCHEMBL338482 0.88 GRIA4 (0.54) GRIA4GRIA2GRIA1GRIA3SCN5A
SCHEMBL5794639 0.81 GRIA4 (0.67) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5878067 0.80 GRIA4 (0.91) GRIA4GRIA2GRIA1GRIA3
SCHEMBL4950547 0.77 TDP1 (0.47) GRIA4ROCK2ROCK1GRM5
SCHEMBL28571512 0.74 XDH (0.48) GRM5
SCHEMBL4947733 0.74 XDH (0.40) SCN5ASCN9AROCK2ROCK1GRM5
SCHEMBL4949007 0.74 GRM5 (0.36) GRIA4SCN5ASCN9AROCK2ROCK1
SCHEMBL5878509 0.74 GRIA4 (0.80) GRIA4GRIA2GRIA1GRIA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102153-A1 AMPA RECEPTOR POTENTIATORS Eli Lilly & Company (US) 2009-09-23 EP disclosed
WO-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed