SCHEMBL6773180

SCHEMBL6773180

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccc(Br)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.43
ITGAV P06756 20/20 0.43
ITGB6 P18564 12/20 0.43
ITGB1 P05556 7/20 0.42
ITGA5 P08648 7/20 0.42
ITGB5 P18084 2/20 0.42
ITGB8 P26012 2/20 0.42
ITGA8 P53708 2/20 0.42
MDM2 Q00987 4/20 0.42
MDM4 O15151 2/20 0.42

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
SCHEMBL6783117 0.89 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777683 0.89 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778345 0.88 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773166 0.86 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7342406 0.85 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7348529 0.84 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7834995 0.84 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782755 0.84 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340220 0.84 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7337737 0.83 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed