SCHEMBL4980429

SCHEMBL4980429

COc1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.68
HAO1 Q9UJM8 1/20 0.51
NPC1 O15118 1/20 0.51
HCRTR1 O43613 1/20 0.51
RAB9A P51151 1/20 0.51

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
Hydrochloric Acid SCHEMBL3839867 0.98 GRM5 (0.67) GRM5HAO1NPC1HCRTR1RAB9A
SCHEMBL704827 0.83 GRM5 (0.68) GRM5HAO1NPC1HCRTR1RAB9A
SCHEMBL6132140 0.82 GRM5 (0.66) GRM5HAO1
SCHEMBL30707880 0.82 GRM5 (0.66) GRM5HAO1
SCHEMBL14573615 0.81 GRM5 (1.00) GRM5NPC1HCRTR1RAB9A
SCHEMBL3959103 0.81 GRM5 (1.00) GRM5NPC1HCRTR1RAB9A
SCHEMBL4267103 0.81 CA12 (0.63) GRM5HAO1
SCHEMBL3955131 0.80 GRM5 (0.65) GRM5
SCHEMBL30278437 0.80 GRM5 (0.59) GRM5HAO1
M-Mpep SCHEMBL29393403 0.79 GRM5 (1.00) GRM5NPC1RAB9A

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-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 EP disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed