SCHEMBL7339653

SCHEMBL7339653

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.46
ITGB3 P05106 14/20 0.45
ITGAV P06756 14/20 0.45
ITGB6 P18564 10/20 0.45
ITGB1 P05556 6/20 0.45
ITGA5 P08648 6/20 0.45
ITGB5 P18084 3/20 0.45
ITGB8 P26012 3/20 0.45
ITGA8 P53708 3/20 0.45
MDM4 O15151 2/20 0.43
MDM2 Q00987 2/20 0.42
CYP26A1 O43174 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6778582 0.91 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341209 0.90 GPR139 (0.52) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL612700 0.89 ITGB3 (0.49) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL6782755 0.89 ITGB3 (0.51) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL7833841 0.88 ITGB3 (0.49) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL7337737 0.87 ITGB3 (0.45) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL7836882 0.87 ITGB3 (0.48) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL7348529 0.87 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776883 0.87 ITGB3 (0.52) GPR139ITGB3ITGAVITGB6ITGB1
SCHEMBL6778594 0.87 ITGB3 (0.48) GPR139ITGB3ITGAVITGB6ITGB1

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