SCHEMBL5218685

SCHEMBL5218685

CC(C)(C)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1.CCCc1ccccc1-n1cc(-c2ccccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
MKNK1 Q9BUB5 10/20 0.38
MKNK2 Q9HBH9 2/20 0.33
PDE10A Q9Y233 2/20 0.32
GRM4 Q14833 1/20 0.32
DYRK1B Q9Y463 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
METAP2 P50579 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL5256274 0.82 GRM5 (0.40) GRM5MKNK1PDE10AGRM4
SCHEMBL5218681 0.81 PDE10A (0.39) PDE10ADYRK1B
SCHEMBL30794399 0.79 GRM5 (0.62) GRM5MKNK1PDE10AGRM4METAP2
SCHEMBL3917705 0.79 GRM5 (0.62) GRM5MKNK1PDE10AGRM4METAP2
SCHEMBL3923675 0.78 GRM5 (0.45) GRM5PDE10ADYRK1BIRAK4
SCHEMBL5216133 0.72 GRM5 (0.42) GRM5MKNK1GRM4
SCHEMBL5222668 0.71 NPC1 (0.45) GRM4DYRK1B
SCHEMBL5217060 0.69 NPC1 (0.41) MKNK1PDE10AGRM4
SCHEMBL5219719 0.68 MAPT (0.43) PDE10AGRM4DYRK1B
SCHEMBL5215415 0.68 GRM2 (0.43) GRM5MKNK1GRM4

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
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed