SCHEMBL8315692

SCHEMBL8315692

NCc1ccc(N2CC(CN3CCN(Cc4ccccc4)C(C(=O)O)C3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.45
SIGMAR1 Q99720 7/20 0.43
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F10 P00742 2/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL8948886 0.89 ITGB3 (0.46) GRM2SIGMAR1ITGB3ITGA2BF10
SCHEMBL8313161 0.88 ITGB3 (0.48) GRM2SIGMAR1ITGB3ITGA2BF10
SCHEMBL8313108 0.87 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8315694 0.86 SIGMAR1 (0.45) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8314851 0.85 GRM2 (0.53) GRM2SIGMAR1F10
SCHEMBL8316400 0.79 ITGB3 (0.50) GRM2SIGMAR1ITGB3ITGA2BF10
SCHEMBL8312680 0.78 F10 (0.42) GRM2SIGMAR1ITGB3ITGA2BF10
SCHEMBL8948750 0.78 F10 (0.53) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8948665 0.78 F10 (0.52) GRM2SIGMAR1ITGB3ITGA2BF10
SCHEMBL8948621 0.78 F10 (0.52) GRM2SIGMAR1ITGB3ITGA2BF10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
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
CN-1097421-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1995-01-18 CN disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed