SCHEMBL6776137

SCHEMBL6776137

O=C(O)CC(NC(=O)CNC(=O)c1cc(NC2=NCCCCC2)cc(NC2=NCCCCC2)c1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.45
ITGAV P06756 18/20 0.45
ITGB6 P18564 16/20 0.45
ITGB1 P05556 5/20 0.45
ITGA5 P08648 5/20 0.45
ITGB5 P18084 5/20 0.45
ITGB8 P26012 5/20 0.45
ITGA8 P53708 5/20 0.45
ITGA2B P08514 2/20 0.43

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
SCHEMBL6778166 0.94 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL30625724 0.94 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6774888 0.90 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777425 0.86 SUCNR1 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776905 0.84 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835935 0.83 SUCNR1 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341387 0.83 ITGB3 (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782859 0.80 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836752 0.80 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777241 0.79 ITGB3 (0.58) 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
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 claimed
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 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