SCHEMBL8315480

SCHEMBL8315480

N#Cc1ccc(N2CC(CN3CCNC(C(=O)O)C3)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.50
SIGMAR1 Q99720 11/20 0.41
MAPT P10636 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
SCHEMBL8948697 0.87 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL8316389 0.86 SIGMAR1 (0.41) GRM2SIGMAR1MAPT
SCHEMBL8948494 0.82 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8311049 0.82 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8948618 0.82 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8948743 0.82 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL8313964 0.81 GRM2 (0.54) GRM2SIGMAR1
SCHEMBL8458455 0.80 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948726 0.79 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948849 0.79 GRM2 (0.52) GRM2SIGMAR1

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 3 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed