SCHEMBL5320105

SCHEMBL5320105

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.44
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
SMPD1 P17405 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
SCHEMBL5320745 0.88 GRM2 (0.42) GRM2
SCHEMBL5320064 0.87 GRM2 (0.60) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5322081 0.81 GRM2 (0.64) GRM2
SCHEMBL5318898 0.81 GRM2 (0.64) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5317566 0.75 PRKCI (0.36)
SCHEMBL4945569 0.73 GRM2 (0.76) GRM2
SCHEMBL5321424 0.73 GRM2 (0.60) GRM2
SCHEMBL5323086 0.73 PTPN1 (0.43) GRM2
SCHEMBL5317507 0.72 LMNA (0.49) GRM2
SCHEMBL5318339 0.72 GRM2 (0.44) 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