SCHEMBL6773885

SCHEMBL6773885

COc1ccc(Br)cc1C(CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.47
ITGAV P06756 14/20 0.47
ITGB6 P18564 10/20 0.47
ITGB1 P05556 2/20 0.46
ITGA5 P08648 2/20 0.46
ITGB5 P18084 2/20 0.46
ITGB8 P26012 2/20 0.46
ITGA8 P53708 2/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
CTSA P10619 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL7823382 0.90 MAPT (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777329 0.89 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773894 0.87 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6779560 0.85 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6772684 0.84 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6783457 0.84 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773766 0.84 F7 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777688 0.83 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835946 0.83 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777292 0.83 ITGB3 (0.65) 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
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