SCHEMBL7348529

SCHEMBL7348529

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccc(Br)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGAV P06756 19/20 0.49
ITGB6 P18564 11/20 0.46
ITGB1 P05556 6/20 0.46
ITGA5 P08648 6/20 0.46
ITGB5 P18084 3/20 0.46
ITGB8 P26012 3/20 0.46
ITGA8 P53708 3/20 0.46
MDM4 O15151 2/20 0.44
MDM2 Q00987 2/20 0.43
ITGA2B P08514 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
SCHEMBL7834995 0.93 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782755 0.92 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340220 0.92 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7833841 0.91 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7337737 0.91 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776883 0.91 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341106 0.89 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL27486479 0.89 ITGB3 (0.39) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7345387 0.88 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7345805 0.88 ITGB3 (0.52) 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 5 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