SCHEMBL7345219

SCHEMBL7345219

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NOc2ccccc2)c1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.48
ITGB3 P05106 13/20 0.47
ITGA2B P08514 6/20 0.47
GPR139 Q6DWJ6 3/20 0.46
ITGAV P06756 11/20 0.45
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
ITGA8 P53708 1/20 0.42
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 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
SCHEMBL7338807 0.91 ROCK2 (0.45) SUCNR1ITGB3ITGA2BGPR139
SCHEMBL6778483 0.90 SUCNR1 (0.53) SUCNR1ITGB3ITGA2BGPR139ITGAV
SCHEMBL6773593 0.87 SUCNR1 (0.50) SUCNR1ITGB3ITGA2BGPR139ITGAV
SCHEMBL6780209 0.87 ITGB3 (0.55) SUCNR1ITGB3ITGA2BITGAVITGB1
SCHEMBL29391928 0.87 ITGB3 (0.55) SUCNR1ITGB3ITGA2BITGAVITGB1
SCHEMBL240965 0.86 ITGB3 (0.59) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL240966 0.86 ITGB3 (0.59) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL6772994 0.86 GPR139 (0.52) SUCNR1ITGB3ITGA2BGPR139ITGAV
SCHEMBL7834191 0.85 SUCNR1 (0.50) SUCNR1ITGB3ITGA2BITGAVITGB1
SCHEMBL6778673 0.85 ITGB3 (0.53) SUCNR1ITGB3ITGA2BITGAVITGB1

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 7 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
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