SCHEMBL6779352

SCHEMBL6779352

N=C(N)Nc1ccc(O)c(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.41
ITGA2B P08514 5/20 0.41
ITGAV P06756 12/20 0.39
ITGB6 P18564 11/20 0.39
ITGB1 P05556 10/20 0.39
ITGA5 P08648 10/20 0.39
ITGB5 P18084 10/20 0.39
ITGB8 P26012 10/20 0.39
ITGA8 P53708 10/20 0.39
GPR139 Q6DWJ6 2/20 0.38
P2RX1 P51575 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL7834969 0.88 KMT2A (0.37) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL14450496 0.87 PTGDR2 (0.44) ITGB3ITGA2B
SCHEMBL6779369 0.86 ITGB3 (0.39) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL244261 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL6783154 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVGPR139
SCHEMBL6784179 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL6778078 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL6773611 0.80 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL6774572 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB6ITGB1
SCHEMBL14536297 0.79 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB6ITGB1

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