SCHEMBL5536081

SCHEMBL5536081

CCCc1c(OCc2cc(-c3ccccc3)ccc2C(=O)O)ccc2c1ccn2CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.57
PPARG P37231 9/20 0.41
PPARA Q07869 8/20 0.41
PPARD Q03181 6/20 0.40
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL1997237 0.83 GRM2 (0.71) GRM2PPARGPPARAPPARDBCL2
SCHEMBL1995238 0.82 GRM2 (0.68) GRM2PPARGPPARAPPARDBCL2
SCHEMBL1997138 0.79 GRM2 (0.65) GRM2PPARGPPARAPPARD
SCHEMBL1997576 0.78 GRM2 (0.60) GRM2PPARGPPARAPPARD
SCHEMBL1996315 0.77 GRM2 (0.65) GRM2PPARGPPARAPPARD
SCHEMBL1993438 0.76 GRM2 (0.61) GRM2PPARGPPARAPPARD
SCHEMBL1998937 0.74 GRM2 (0.66) GRM2PPARGPPARAPPARD
SCHEMBL5533088 0.72 GRM2 (0.43) GRM2PPARGPPARAPPARD
SCHEMBL1996029 0.72 GRM2 (1.00) GRM2
SCHEMBL12611065 0.71 GRM2 (0.55) GRM2PPARGPPARAPPARDBCL2

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 claimed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO claimed