SCHEMBL6775819

SCHEMBL6775819

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC2=NCCCN2)c1)c1cc(Cl)cc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGAV P06756 20/20 0.76
ITGB6 P18564 15/20 0.76
ITGB1 P05556 3/20 0.65
ITGA5 P08648 3/20 0.65
ITGB5 P18084 3/20 0.65
ITGB8 P26012 3/20 0.65
ITGA8 P53708 3/20 0.65

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
SCHEMBL6772515 0.95 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL30430710 0.95 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773616 0.95 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776399 0.91 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778102 0.90 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6229334 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224489 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777835 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL27555011 0.85 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8337383 0.85 ITGB3 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP 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
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed