SCHEMBL7229609

SCHEMBL7229609

NC(Cc1ccc(OCC2CN(CCC3CCNCC3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.44
ITGA2B P08514 18/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGAV P06756 2/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL7236119 0.95 ITGB3 (0.47) ITGB3ITGA2BMAPK1L3MBTL1ITGAV
SCHEMBL7235894 0.94 ITGB3 (0.49) ITGB3ITGA2BMAPK1L3MBTL1ITGAV
SCHEMBL7239563 0.91 ITGB3 (0.42) ITGB3ITGA2BMAPK1L3MBTL1ITGAV
SCHEMBL7228965 0.91 ITGB3 (0.43) ITGB3ITGA2BMAPK1L3MBTL1ITGAV
SCHEMBL7238084 0.86 MAPK1 (0.45) ITGB3ITGA2BMAPK1L3MBTL1GRM2
SCHEMBL7228656 0.86 MAPK1 (0.43) ITGB3ITGA2BMAPK1L3MBTL1GRM2
SCHEMBL7235385 0.85 ITGB3 (0.45) ITGB3ITGA2BMAPK1L3MBTL1ITGAV
SCHEMBL7228301 0.85 MAPK1 (0.48) ITGB3ITGA2BMAPK1L3MBTL1GRM2
SCHEMBL7235806 0.85 MAPK1 (0.48) ITGB3ITGA2BMAPK1L3MBTL1GRM2
SCHEMBL7229893 0.85 ITGB3 (0.47) ITGB3ITGA2BMAPK1L3MBTL1ITGAV

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