SCHEMBL5533460

SCHEMBL5533460

CCCc1c(OCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc2c(CC(C)(C)C)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.52
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL2002628 0.84 PPARG (0.48) GRM2PPARGPPARDPPARA
SCHEMBL1996376 0.82 GRM2 (0.75) GRM2PPARGPPARDPPARA
SCHEMBL1995376 0.77 GRM2 (0.73) GRM2
SCHEMBL2000285 0.77 GRM2 (0.49) GRM2
SCHEMBL1999842 0.77 GRM2 (0.73) GRM2
SCHEMBL2002625 0.77 GRM2 (0.73) GRM2
SCHEMBL1996622 0.76 GRM2 (0.73) GRM2
SCHEMBL1998620 0.76 GRM2 (0.63) GRM2PPARGPPARDPPARA
SCHEMBL1997997 0.75 GRM2 (0.73) GRM2
SCHEMBL1997582 0.75 GRM2 (0.73) 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 4 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
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