SCHEMBL6772684

SCHEMBL6772684

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Br)cc(Br)c2O)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGB6 P18564 17/20 0.64
ITGB1 P05556 3/20 0.53
ITGA5 P08648 3/20 0.53
ITGB5 P18084 3/20 0.53
ITGB8 P26012 3/20 0.53
ITGA8 P53708 3/20 0.53

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
SCHEMBL6777292 0.91 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6896208 0.91 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6804398 0.91 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777329 0.89 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836067 0.88 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778266 0.88 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340807 0.87 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6774023 0.86 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6779336 0.86 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773885 0.84 ITGB3 (0.47) 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 8 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
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