SCHEMBL4538296

SCHEMBL4538296

O=C1NC(c2cncc(Br)c2)[C@@H](c2ccccc2F)O1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.69
PGR P06401 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL5022080 1.00 GRM5 (0.69) GRM5PGRKCNH2
SCHEMBL16635580 0.88 GRM5 (0.69) GRM5PGRKCNH2
SCHEMBL4539080 0.88 GRM5 (0.69) GRM5PGRKCNH2
SCHEMBL5021555 0.88 GRM5 (0.69) GRM5PGRKCNH2
SCHEMBL16635581 0.86 GRM5 (0.59) GRM5PGRKCNH2
SCHEMBL16635582 0.86 GRM5 (0.61) GRM5PGRKCNH2
SCHEMBL4542095 0.83 GRM5 (0.67) GRM5PGRKCNH2
SCHEMBL16636195 0.83 GRM5 (0.67) GRM5PGRKCNH2
SCHEMBL4539727 0.82 GRM5 (0.67) GRM5PGRKCNH2
SCHEMBL4561994 0.81 GRM5 (1.00) 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