SCHEMBL7228186

SCHEMBL7228186

CCCC(=O)C(N)(Cc1ccc(OCC2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.46
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
F10 P00742 1/20 0.44
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7227916 0.96 GRM2 (0.45) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7227380 0.96 GRM2 (0.45) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7228412 0.91 GRM2 (0.44) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7238107 0.91 ITGB3 (0.45) GRM2ITGB3ITGA2BF10
SCHEMBL7227353 0.89 GRM2 (0.47) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7238095 0.88 ITGB3 (0.42) GRM2ITGB3ITGA2BF10
SCHEMBL7228243 0.88 GRM2 (0.45) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7230548 0.87 ITGB3 (0.42) GRM2ITGB3ITGA2BF10
SCHEMBL7236525 0.87 GRM2 (0.43) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7237826 0.86 GRM2 (0.43) GRM2ITGB3ITGA2BF10PLA2G10

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