SCHEMBL5317630

SCHEMBL5317630

CC(=O)C(C)Cc1ccc(OCCCCSc2ccccn2)c(C)c1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.66
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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 0.85 GRM2 (0.64) GRM2
SCHEMBL5318495 0.85 GRM2 (0.61) GRM2ALDH1A1LMNARAB9ANPC1
SCHEMBL5319009 0.83 GRM2 (0.66) GRM2
SCHEMBL5320047 0.80 GRM2 (0.46) GRM2
SCHEMBL5321424 0.80 GRM2 (0.60) GRM2
SCHEMBL5318946 0.80 GRM2 (0.44) GRM2
SCHEMBL5317850 0.80 CYP1A2 (0.47) GRM2
SCHEMBL4943907 0.79 GRM2 (1.00) GRM2
SCHEMBL5317507 0.79 LMNA (0.49) GRM2LMNASMN1; SMN2MAPTHTT
SCHEMBL5322180 0.78 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