SCHEMBL8457744

SCHEMBL8457744

N#Cc1ccc(N2C[C@H](CN3CCC(OC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
GRM2 Q14416 9/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL8452739 1.00 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1HRH3MEN1
SCHEMBL8451456 1.00 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1HRH3MEN1
SCHEMBL8450620 0.91 GRM2 (0.42) SIGMAR1GRM2L3MBTL1
SCHEMBL8948876 0.88 SIGMAR1 (0.43) SIGMAR1GRM2L3MBTL1HRH3
SCHEMBL8948720 0.88 L3MBTL1 (0.49) SIGMAR1GRM2L3MBTL1
SCHEMBL8948663 0.88 L3MBTL1 (0.49) SIGMAR1GRM2L3MBTL1
SCHEMBL8948589 0.88 L3MBTL1 (0.49) SIGMAR1GRM2L3MBTL1
SCHEMBL8452361 0.88 GRM2 (0.51) SIGMAR1GRM2
SCHEMBL8458486 0.88 GRM2 (0.51) SIGMAR1GRM2
SCHEMBL8948773 0.86 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1MEN1

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