SCHEMBL7227376

SCHEMBL7227376

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.45
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
F10 P00742 1/20 0.44
PLA2G10 O15496 2/20 0.43
PLA2G2A P14555 2/20 0.43
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL7227913 0.99 GRM2 (0.45) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7228184 0.96 GRM2 (0.46) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7238103 0.89 ITGB3 (0.48) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7236522 0.89 GRM2 (0.43) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7237823 0.88 PLA2G2A (0.43) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7228450 0.88 PLA2G2A (0.43) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7228406 0.88 ITGB3 (0.45) GRM2ITGB3ITGA2BF10
SCHEMBL7227349 0.88 GRM2 (0.46) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7228242 0.87 GRM2 (0.45) GRM2ITGB3ITGA2BF10PLA2G10
SCHEMBL7230543 0.87 ITGB3 (0.45) 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