SCHEMBL7238084

SCHEMBL7238084

NC(Cc1ccc(OCC2CN(CCN3CCNCC3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
GRM2 Q14416 6/20 0.39
HTR2A P28223 2/20 0.39
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL7235806 0.95 MAPK1 (0.48) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7228301 0.95 MAPK1 (0.48) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7238185 0.90 MAPK1 (0.43) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7238538 0.87 MAPK1 (0.45) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7229609 0.86 ITGB3 (0.44) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7235888 0.85 MAPK1 (0.49) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7229583 0.85 MAPK1 (0.46) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7235258 0.85 MAPK1 (0.46) MAPK1L3MBTL1ITGB3ITGA2BGRM2
SCHEMBL7236119 0.85 ITGB3 (0.47) MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7239563 0.84 ITGB3 (0.42) 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