SCHEMBL6779388

SCHEMBL6779388

CN(CC(=O)NC(CC(=O)O)c1cccnc1)C(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.55
ITGA2B P08514 16/20 0.55
SUCNR1 Q9BXA5 2/20 0.45
ITGAV P06756 12/20 0.44

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
SCHEMBL7832113 0.89 ITGB3 (0.44) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6776653 0.83 ITGB3 (0.58) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL7832112 0.82 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL6777398 0.81 SUCNR1 (0.53) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6780209 0.76 ITGB3 (0.55) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL29391928 0.76 ITGB3 (0.55) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6773791 0.76 ITGB3 (0.57) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6778673 0.74 ITGB3 (0.53) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6773340 0.74 ITGB3 (0.53) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6367673 0.74 ITGB3 (0.49) ITGB3ITGA2BSUCNR1ITGAV

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