SCHEMBL5318898

SCHEMBL5318898

CC(=O)C(C)Cc1ccc(OCCCCSc2ccncc2)c(Br)c1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.64
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL5319146 0.89 GRM2 (0.64) GRM2
SCHEMBL5317864 0.82 GRM2 (0.48) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5320105 0.81 GRM2 (0.44) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5322081 0.80 GRM2 (0.64) GRM2
SCHEMBL5320064 0.78 GRM2 (0.60) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4944118 0.78 GRM2 (1.00) GRM2
SCHEMBL5319009 0.77 GRM2 (0.66) GRM2
SCHEMBL5325245 0.76 GRM2 (0.49) GRM2
SCHEMBL5321096 0.75 GRM2 (0.61) GRM2
SCHEMBL5321356 0.75 GRM2 (0.63) GRM2HDAC3HDAC4HDAC1HDAC7

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