SCHEMBL7227410

SCHEMBL7227410

COC(=O)C(N)Cc1ccc(OCC2CN(C(C)N3CCN(C(=N)N)CC3)C(=O)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
PTGS2 P35354 2/20 0.35
IL2RA P01589 1/20 0.35
ALB P02768 1/20 0.35
IL2 P60568 1/20 0.35
ACACB O00763 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33

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
SCHEMBL7238523 0.92 GRM2 (0.41) GRM2ACACBMAPK1L3MBTL1HRH3
SCHEMBL7241291 0.92 GRM2 (0.37) GRM2PTGS2IL2RAALBIL2
SCHEMBL7228923 0.89 GRM2 (0.38) GRM2PTGS2IL2RAALBIL2
SCHEMBL7238181 0.87 GRM2 (0.38) GRM2PTGS2ACACBDPP4FAP
SCHEMBL7228101 0.87 GRM2 (0.37) GRM2PTGS2IL2RAALBIL2
SCHEMBL7227418 0.84 MAPK1 (0.43) GRM2PTGS2IL2RAALBIL2
SCHEMBL7229801 0.84 GRM2 (0.39) GRM2PTGS2IL2RAALBIL2
SCHEMBL7231397 0.83 GRM2 (0.40) GRM2MAPK1L3MBTL1HRH2HRH1
SCHEMBL7241299 0.83 MAPK1 (0.46) GRM2MAPK1L3MBTL1HRH3HRH2
SCHEMBL7237473 0.83 MAPK1 (0.39) GRM2PTGS2IL2RAALBIL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed