SCHEMBL7345759

SCHEMBL7345759

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Br)ccc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.56
ITGAV P06756 19/20 0.56
ITGB6 P18564 16/20 0.56
ITGB1 P05556 4/20 0.56
ITGA5 P08648 4/20 0.56
ITGB5 P18084 4/20 0.56
ITGB8 P26012 4/20 0.56
ITGA8 P53708 4/20 0.56
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7838278 0.90 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7837890 0.90 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340958 0.90 ITGB3 (0.70) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL27486192 0.89 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7338411 0.89 ITGB3 (0.54) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773894 0.89 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340807 0.89 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7348529 0.87 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777304 0.87 ITGB3 (0.64) ITGB3ITGAVITGB6
SCHEMBL6777329 0.87 ITGB3 (0.56) 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 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