SCHEMBL5318909

SCHEMBL5318909

Cc1cccc(CN(C)CCCCOc2ccc(CC(C)CC=O)c(O)c2C)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
CXCR4 P61073 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
SCHEMBL5320884 0.80 GRM2 (0.37) GRM2
SCHEMBL4944960 0.78 GRM2 (0.60) GRM2
SCHEMBL5320848 0.77 GRM2 (0.43) GRM2
SCHEMBL5318920 0.77 GRM2 (0.58) GRM2
SCHEMBL5317788 0.76 GRM2 (0.56) GRM2MEN1KMT2AKDM4E
SCHEMBL5323117 0.75 GRM2 (0.41) GRM2
SCHEMBL5321101 0.75 GRM2 (0.42) GRM2
SCHEMBL5325266 0.75 GRM2 (0.42) GRM2
SCHEMBL5318901 0.75 TP53 (0.40) GRM2KMT2A
SCHEMBL5320891 0.75 GRM2 (0.58) 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-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP claimed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
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