SCHEMBL6778078

SCHEMBL6778078

N=C(N)Nc1cc(C(=O)O)cc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.45
ITGAV P06756 17/20 0.45
ITGB6 P18564 14/20 0.45
ITGB1 P05556 9/20 0.45
ITGA5 P08648 9/20 0.45
ITGB5 P18084 9/20 0.45
ITGB8 P26012 9/20 0.45
ITGA8 P53708 9/20 0.45
ITGA2B P08514 2/20 0.44
GPR139 Q6DWJ6 1/20 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
SCHEMBL6784179 0.95 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773611 0.91 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7339440 0.88 GPR139 (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773907 0.88 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL244261 0.87 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6774572 0.84 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778094 0.83 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777357 0.82 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773791 0.82 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7346866 0.82 GPR139 (0.41) 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