SCHEMBL7877293

SCHEMBL7877293

N#Cc1cccc(-c2ccc3c(n2)CC(c2ccccn2)CC3)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.42
CLK4 Q9HAZ1 1/20 0.41
KDM1A O60341 1/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL7881353 0.82 GRM5 (0.37) GRM5
SCHEMBL505076 0.79 GRM5 (0.51) GRM5CLK4PDE4DPDE4APDE4B
SCHEMBL505271 0.79 GRM5 (0.48) GRM5CLK4PDE4DPDE4APDE4B
SCHEMBL504743 0.75 GRM5 (0.50) GRM5CLK4USP30
SCHEMBL7879222 0.71 KDM6B (0.35) ADORA2AADORA1
SCHEMBL29496936 0.69 CLK4 (0.66) GRM5CLK4
SCHEMBL29472032 0.69 CLK4 (0.66) GRM5CLK4
SCHEMBL1133442 0.69 CLK4 (0.66) GRM5CLK4
SCHEMBL18411435 0.67 GRM5 (0.62) GRM5CLK4
SCHEMBL18411315 0.67 GRM5 (0.62) GRM5CLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed