SCHEMBL5532488

SCHEMBL5532488

CCCc1c(OCc2cccc(-c3ccc(-c4nn[nH]n4)nc3)c2)ccc2c1ccn2C(C)(C)CC

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.65
CYSLTR1 Q9Y271 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL2003173 0.88 GRM2 (0.84) GRM2
SCHEMBL12611998 0.84 GRM2 (0.66) GRM2CYSLTR1
SCHEMBL1996029 0.79 GRM2 (1.00) GRM2
SCHEMBL12611059 0.75 GRM2 (0.78) GRM2CYSLTR1MRGPRX4
SCHEMBL1997138 0.68 GRM2 (0.65) GRM2MRGPRX4
SCHEMBL1997175 0.68 GRM2 (1.00) GRM2
SCHEMBL2001373 0.67 GRM2 (0.71) GRM2MRGPRX4
SCHEMBL1998223 0.67 GRM2 (0.70) GRM2MRGPRX4
SCHEMBL1997540 0.66 GRM2 (0.66) GRM2
SCHEMBL1997237 0.66 GRM2 (0.71) GRM2MRGPRX4

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-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed