SCHEMBL5021708

SCHEMBL5021708

Nc1cccc(C#Cc2cncc([C@H]3NC(=O)O[C@@H]3c3cc(F)cc(F)c3)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.79
PGR P06401 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL5021918 1.00 GRM5 (0.79) GRM5PGRKCNH2
SCHEMBL5021737 0.92 GRM5 (0.79) GRM5PGRKCNH2
SCHEMBL4562021 0.88 GRM5 (1.00) GRM5PGRKCNH2
SCHEMBL5021715 0.88 GRM5 (0.80) GRM5PGRKCNH2
SCHEMBL13640362 0.88 GRM5 (0.79) GRM5PGRKCNH2
SCHEMBL13640431 0.88 GRM5 (0.79) GRM5PGRKCNH2
SCHEMBL5021705 0.87 GRM5 (0.82) GRM5PGRKCNH2
SCHEMBL5022082 0.86 GRM5 (0.84) GRM5PGRKCNH2
SCHEMBL5021922 0.86 GRM5 (0.80) GRM5PGRKCNH2
SCHEMBL5021707 0.86 GRM5 (0.83) GRM5PGRKCNH2

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-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed