SCHEMBL5021544

SCHEMBL5021544

O=C1N[C@@H](c2cccc(-c3ccccc3)n2)[C@H](c2cc(F)cc(F)c2)O1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.52
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL5021546 1.00 GRM5 (0.52) GRM5MEN1RAB9AKMT2A
SCHEMBL16364184 0.92 GRM5 (0.58) GRM5
SCHEMBL13642150 0.89 GRM5 (0.54) GRM5MEN1RAB9AKMT2A
SCHEMBL5021742 0.89 GRM5 (0.54) GRM5MEN1RAB9AKMT2A
SCHEMBL5022006 0.87 GRM5 (0.63) GRM5MEN1RAB9AKMT2A
SCHEMBL5022007 0.87 GRM5 (0.63) GRM5MEN1RAB9AKMT2A
SCHEMBL5021576 0.87 GRM5 (0.55) GRM5
SCHEMBL5021574 0.87 GRM5 (0.55) GRM5
SCHEMBL5021685 0.87 GRM5 (0.45) GRM5MEN1RAB9AKMT2A
SCHEMBL5021686 0.87 GRM5 (0.45) GRM5MEN1RAB9AKMT2A

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