SCHEMBL8288357

SCHEMBL8288357

CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c(SC(C)C)n1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.60
GRIA2 P42262 9/20 0.57
FNTA P49354 7/20 0.51
FNTB P49356 7/20 0.51
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4378785 0.89 GRIA4 (0.73) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL8288361 0.88 GRIA4 (0.78) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL4378375 0.87 GRIA4 (0.73) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL8288481 0.85 GRIA4 (0.77) GRIA4GRIA2
SCHEMBL8287317 0.82 GRIA4 (0.72) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL8288354 0.82 GRIA4 (0.56) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL20626561 0.82 GRIA4 (0.56) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL4372732 0.82 GRIA4 (0.76) GRIA4GRIA2
SCHEMBL8288390 0.82 GRIA4 (0.56) GRIA4GRIA2ALDH1A1L3MBTL1HTT
SCHEMBL8289338 0.80 GRIA4 (0.59) GRIA4GRIA2ALDH1A1L3MBTL1HTT

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-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed