SCHEMBL6773593

SCHEMBL6773593

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NNc2ccccc2)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.50
ITGB3 P05106 16/20 0.47
ITGA2B P08514 7/20 0.47
ITGAV P06756 14/20 0.46
ITGB6 P18564 4/20 0.45
ITGB1 P05556 2/20 0.45
ITGA5 P08648 2/20 0.45
ITGB5 P18084 2/20 0.45
ITGB8 P26012 2/20 0.45
ITGA8 P53708 2/20 0.45
KCNK3 O14649 1/20 0.41
GPR139 Q6DWJ6 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
SCHEMBL6778483 0.93 SUCNR1 (0.53) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL7345147 0.89 ROCK2 (0.41) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL240965 0.89 ITGB3 (0.59) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL6772994 0.89 GPR139 (0.52) SUCNR1ITGB3ITGA2BITGAVITGB1
SCHEMBL240966 0.89 ITGB3 (0.59) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL7834191 0.88 SUCNR1 (0.50) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL6778673 0.88 ITGB3 (0.53) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL29391928 0.87 ITGB3 (0.55) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL6780209 0.87 ITGB3 (0.55) SUCNR1ITGB3ITGA2BITGAVITGB6
SCHEMBL7345219 0.87 SUCNR1 (0.48) SUCNR1ITGB3ITGA2BITGAVITGB6

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