SCHEMBL8458262

SCHEMBL8458262

N#Cc1ccc(N2CC(CN3CCCC3OC(=O)OCc3ccccc3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL8456598 0.97 GRM2 (0.42) GRM2L3MBTL1SIGMAR1
SCHEMBL8450720 0.88 GRM2 (0.49) GRM2SIGMAR1
SCHEMBL8450620 0.88 GRM2 (0.42) GRM2L3MBTL1SIGMAR1
SCHEMBL8948620 0.86 L3MBTL1 (0.44) GRM2L3MBTL1SIGMAR1
SCHEMBL8448358 0.85 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8451456 0.85 SIGMAR1 (0.44) GRM2L3MBTL1SIGMAR1
SCHEMBL8457744 0.85 SIGMAR1 (0.44) GRM2L3MBTL1SIGMAR1
SCHEMBL8452739 0.85 SIGMAR1 (0.44) GRM2L3MBTL1SIGMAR1
SCHEMBL8449318 0.85 SIGMAR1 (0.41) GRM2L3MBTL1SIGMAR1
SCHEMBL8948645 0.84 FKBP1A (0.44) GRM2L3MBTL1

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-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed