SCHEMBL4540070

SCHEMBL4540070

O=C1NC(c2cc(Br)ccn2)C(c2ccc(F)cc2)O1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.54
PGR P06401 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4541795 1.00 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL4537121 1.00 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL4538746 0.88 GRM5 (0.67) GRM5
SCHEMBL5021767 0.85 GRM5 (0.54) GRM5
SCHEMBL5021768 0.85 GRM5 (0.54) GRM5
SCHEMBL5021738 0.83 GRM5 (0.58) GRM5PGRKCNH2
SCHEMBL5021741 0.83 GRM5 (0.58) GRM5PGRKCNH2
SCHEMBL5021806 0.82 GRM5 (0.51) GRM5
SCHEMBL30794471 0.82 GRM5 (0.77) GRM5PGRKCNH2
SCHEMBL4537146 0.82 GRM5 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 EP disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed