SCHEMBL6777304

SCHEMBL6777304

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Br)cc(Cl)c2O)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGB6 P18564 15/20 0.64

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
SCHEMBL7340807 0.92 ITGB3 (0.63) ITGB3ITGAVITGB6
SCHEMBL7831999 0.92 ITGB3 (0.63) ITGB3ITGAVITGB6
SCHEMBL7832530 0.88 ITGB3 (0.64) ITGB3ITGAVITGB6
SCHEMBL6777292 0.87 ITGB3 (0.65) ITGB3ITGAVITGB6
SCHEMBL7345759 0.87 ITGB3 (0.56) ITGB3ITGAVITGB6
SCHEMBL6778582 0.87 ITGB3 (0.49) ITGB3ITGAVITGB6
SCHEMBL7834995 0.85 ITGB3 (0.49) ITGB3ITGAVITGB6
SCHEMBL27484813 0.85 ITGB3 (0.47) ITGB3ITGAVITGB6
SCHEMBL7832543 0.85 ITGB3 (0.52) ITGB3ITGAVITGB6
SCHEMBL6778120 0.84 ITGB3 (0.54) ITGB3ITGAVITGB6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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