SCHEMBL7238538

SCHEMBL7238538

N=C(N)N1CCN(CCN2CC(COc3ccc(CC(N)C(=O)O)cc3)OC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 6/20 0.39
HRH2 P25021 9/20 0.39
HRH1 P35367 9/20 0.39
HTR2A P28223 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL7231416 0.95 MAPK1 (0.48) MAPK1L3MBTL1GRM2HRH2HRH1
SCHEMBL7227418 0.91 MAPK1 (0.43) MAPK1L3MBTL1GRM2HRH2HRH1
SCHEMBL7228656 0.88 MAPK1 (0.43) MAPK1L3MBTL1GRM2HTR2AITGB3
SCHEMBL7238084 0.87 MAPK1 (0.45) MAPK1L3MBTL1GRM2HRH2HRH1
SCHEMBL7236467 0.87 MAPK1 (0.46) MAPK1L3MBTL1GRM2HRH2HRH1
SCHEMBL7228333 0.86 MAPK1 (0.41) MAPK1L3MBTL1GRM2HTR2AITGB3
SCHEMBL7241299 0.86 MAPK1 (0.46) MAPK1L3MBTL1GRM2HRH2HRH1
SCHEMBL7235888 0.83 MAPK1 (0.49) MAPK1L3MBTL1GRM2HRH1HTR2A
SCHEMBL7228484 0.82 GRM2 (0.41) MAPK1L3MBTL1GRM2HTR2AITGB3
SCHEMBL7238523 0.82 GRM2 (0.41) MAPK1L3MBTL1GRM2HRH2HRH1

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