SCHEMBL7228923

SCHEMBL7228923

COC(=O)C(N)Cc1ccc(OCC2CN(C(C)C3CCN(C(=N)N)CC3)C(=O)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
IL2RA P01589 1/20 0.36
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36
ACACB O00763 4/20 0.35
PRSS1 P07477 3/20 0.35
F2 P00734 1/20 0.35
PTGS2 P35354 1/20 0.35
F10 P00742 4/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 2/20 0.33
PRSS2 P07478 2/20 0.33
ITGA2B P08514 2/20 0.33
PRSS3 P35030 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
SCHEMBL7228645 0.92 GRM2 (0.41) GRM2ACACBPRSS1F2F10
SCHEMBL7228101 0.91 GRM2 (0.37) GRM2IL2RAALBIL2ACACB
SCHEMBL7227410 0.89 GRM2 (0.38) GRM2IL2RAALBIL2ACACB
SCHEMBL7228961 0.87 GRM2 (0.39) GRM2ACACBPTGS2DPP4FAP
SCHEMBL7229801 0.87 GRM2 (0.39) GRM2IL2RAALBIL2ACACB
SCHEMBL7241291 0.86 GRM2 (0.37) GRM2IL2RAALBIL2ACACB
SCHEMBL7237473 0.85 MAPK1 (0.39) GRM2IL2RAALBIL2ACACB
SCHEMBL7228930 0.84 MAPK1 (0.42) GRM2IL2RAALBIL2ACACB
SCHEMBL7236454 0.83 GRM2 (0.40) GRM2PRSS1F2F10MAPK1
SCHEMBL7228105 0.83 MAPK1 (0.44) GRM2IL2RAALBIL2ACACB

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