SCHEMBL5320733

SCHEMBL5320733

CC(=O)C(C)Cc1ccc(OCCCCOc2ccc3ccccc3c2)c(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
HDAC1 Q13547 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL5321424 0.88 GRM2 (0.60) GRM2
SCHEMBL5318890 0.84 GRM2 (0.46) GRM2
SCHEMBL5320086 0.83 GRM2 (0.43) GRM2HDAC1NPC1RAB9APPARG
SCHEMBL5317507 0.82 LMNA (0.49) GRM2
SCHEMBL5317056 0.81 GRM2 (0.61) GRM2
SCHEMBL5321096 0.81 GRM2 (0.61) GRM2
SCHEMBL5317850 0.81 CYP1A2 (0.47) GRM2
SCHEMBL5320745 0.81 GRM2 (0.42) GRM2
SCHEMBL5317851 0.81 GRM2 (0.43) GRM2PPARGPPARDPPARA
SCHEMBL5320228 0.80 PPARG (0.45) GRM2PPARGPPARDPPARA

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-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed