SCHEMBL7238569

SCHEMBL7238569

CCCCS(=O)(=O)NC(Cc1ccc(OCC2CN(c3cccc(C(=N)N)c3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
GRM2 Q14416 13/20 0.47
ITGAV P06756 1/20 0.45
CHRM2 P08172 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7234939 0.94 ITGB3 (0.46) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL3267022 0.91 ITGB3 (0.57) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7238070 0.89 ITGB3 (0.54) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7229085 0.89 ITGB3 (0.54) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7228211 0.89 ITGB3 (0.54) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL3267949 0.87 ITGB3 (0.51) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7230540 0.86 ITGB3 (0.52) ITGB3ITGA2BGRM2
SCHEMBL7236076 0.86 ITGB3 (0.50) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL3266803 0.84 GRM2 (0.52) ITGB3ITGA2BGRM2
SCHEMBL6032832 0.84 ITGB3 (0.56) ITGB3ITGA2BGRM2ITGAVCHRM2

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