SCHEMBL5320064

SCHEMBL5320064

CC(=O)C(C)Cc1ccc(OCCCCOc2ccccc2)c(Br)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.60
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5322081 0.87 GRM2 (0.64) GRM2KMT2A
SCHEMBL5321424 0.87 GRM2 (0.60) GRM2
SCHEMBL5320105 0.87 GRM2 (0.44) GRM2HDAC1HDAC2HDAC3HDAC4
SCHEMBL5321356 0.82 GRM2 (0.63) GRM2HDAC1HDAC2HDAC3HDAC4
SCHEMBL5321096 0.76 GRM2 (0.61) GRM2
SCHEMBL5320733 0.76 GRM2 (0.47) GRM2HDAC1
SCHEMBL4942905 0.75 GRM2 (1.00) GRM2
SCHEMBL5319819 0.75 GRM2 (0.64) GRM2KMT2A
SCHEMBL5318890 0.75 GRM2 (0.46) GRM2
SCHEMBL5320745 0.75 GRM2 (0.42) 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-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