SCHEMBL8287331

SCHEMBL8287331

Bc1c(C#N)c(-c2ccc(-c3ccccc3C)cc2)c(C(=O)OCC)n1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 14/20 0.61
GRIA2 P42262 12/20 0.61
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8288393 0.88 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8288356 0.88 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8289342 0.88 GRIA4 (0.78) GRIA4GRIA2
SCHEMBL13611770 0.88 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8288359 0.86 GRIA4 (0.58) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL13863259 0.80 GRIA4 (0.48) GRIA4GRIA2ALDH1A1KDM4E
SCHEMBL4375364 0.80 GRIA4 (0.61) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL4373283 0.80 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL4372491 0.80 GRIA4 (0.61) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL4375140 0.80 GRIA4 (0.55) GRIA4GRIA2ALDH1A1KDM4EHTT

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