SCHEMBL7229801

SCHEMBL7229801

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
ADRB3 P13945 1/20 0.37
PTGS2 P35354 2/20 0.36
F10 P00742 2/20 0.35
ACACB O00763 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TPSAB1 Q15661 1/20 0.34

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
SCHEMBL7228484 0.91 GRM2 (0.41) GRM2ADRB3F10F2PRSS1
SCHEMBL7238639 0.88 HRH3 (0.38) GRM2ADRB3PTGS2ACACBDPP4
SCHEMBL7237473 0.87 MAPK1 (0.39) GRM2IL2RAALBIL2PTGS2
SCHEMBL7228923 0.87 GRM2 (0.38) GRM2IL2RAALBIL2PTGS2
SCHEMBL7228827 0.86 GRM2 (0.39) GRM2ADRB3PTGS2ACACBL3MBTL1
SCHEMBL7228101 0.86 GRM2 (0.37) GRM2IL2RAALBIL2PTGS2
SCHEMBL7228930 0.85 MAPK1 (0.42) GRM2IL2RAALBIL2F10
SCHEMBL7227410 0.84 GRM2 (0.38) GRM2IL2RAALBIL2PTGS2
SCHEMBL7228105 0.84 MAPK1 (0.44) GRM2IL2RAALBIL2F10
SCHEMBL7227418 0.83 MAPK1 (0.43) GRM2IL2RAALBIL2PTGS2

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