SCHEMBL4759878

SCHEMBL4759878

Cc1ccc(N)c(C#Cc2cccc(C#N)c2)n1.Cc1ccc(N)c(C#Cc2cncc(F)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.68
SLC6A2 P23975 1/20 0.48
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL3872704 0.88 GRM5 (0.68) GRM5SLC6A2
Hydrochloric Acid SCHEMBL3874011 0.87 GRM5 (0.67) GRM5SLC6A2
SCHEMBL3871676 0.87 GRM5 (0.70) GRM5SLC6A2
Hydrochloric Acid SCHEMBL3876458 0.86 GRM5 (0.68) GRM5SLC6A2
SCHEMBL3877004 0.82 GRM5 (1.00) GRM5SLC6A2
SCHEMBL1477622 0.82 CHRNB2 (0.48) GRM5
Hydrochloric Acid SCHEMBL4654166 0.81 GRM5 (0.97) GRM5SLC6A2
SCHEMBL3873559 0.75 GRM5 (0.76) GRM5SLC6A2
Hydrochloric Acid SCHEMBL3876196 0.74 GRM5 (0.74) GRM5SLC6A2
SCHEMBL1476588 0.73 CHRNB2 (0.54) GRM5

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-1603877-B1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMA SA (CH) 2008-11-26 EP claimed