SCHEMBL5535954

SCHEMBL5535954

BrCc1cccc(I)c1.CCCc1c(OCc2cccc(-c3cccc(C(=O)O)n3)c2)ccc2c1ccn2CC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.53
PPARG P37231 8/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 6/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PTGER1 P34995 1/20 0.34

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
SCHEMBL1993438 0.92 GRM2 (0.61) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12614656 0.81 GRM2 (0.47) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL1995238 0.81 GRM2 (0.68) GRM2PPARGPPARDPPARA
SCHEMBL1997138 0.80 GRM2 (0.65) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL1997237 0.78 GRM2 (0.71) GRM2PPARGPPARDPPARA
SCHEMBL1996315 0.78 GRM2 (0.65) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL1997576 0.72 GRM2 (0.60) GRM2PPARGPPARDPPARA
SCHEMBL1998223 0.72 GRM2 (0.70) GRM2
SCHEMBL1994458 0.70 GRM2 (0.61) GRM2PPARGPPARDPPARA
SCHEMBL2001373 0.70 GRM2 (0.71) GRM2

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