SCHEMBL7238185

SCHEMBL7238185

COC(=O)C(N)Cc1ccc(OCC2CN(CCN3CCNCC3)C(=O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
GRM2 Q14416 4/20 0.38
ACACB O00763 1/20 0.37
PTGS2 P35354 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7235258 0.95 MAPK1 (0.46) MAPK1L3MBTL1ITGB3ITGA2BPADI1
SCHEMBL7229583 0.95 MAPK1 (0.46) MAPK1L3MBTL1ITGB3ITGA2BPADI1
SCHEMBL7238084 0.90 MAPK1 (0.45) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7227418 0.87 MAPK1 (0.43) MAPK1L3MBTL1GRM2ACACBPTGS2
SCHEMBL7228965 0.87 ITGB3 (0.43) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7229890 0.86 MAPK1 (0.47) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7235385 0.86 ITGB3 (0.45) MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7237626 0.85 ITGB3 (0.40) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7228301 0.85 MAPK1 (0.48) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7235806 0.85 MAPK1 (0.48) MAPK1L3MBTL1ITGB3ITGA2BGRM2

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