SCHEMBL7341807

SCHEMBL7341807

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.63
ITGAV P06756 14/20 0.63
ITGB1 P05556 11/20 0.63
ITGA5 P08648 11/20 0.63
ITGB6 P18564 9/20 0.63
ITGB5 P18084 7/20 0.63
ITGB8 P26012 7/20 0.63
ITGA8 P53708 7/20 0.63
GPR139 Q6DWJ6 3/20 0.48
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A9 P48067 1/20 0.44
MDM4 O15151 2/20 0.42
MDM2 Q00987 3/20 0.42
ITGA2B P08514 1/20 0.40

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
SCHEMBL7833884 0.95 ITGB3 (0.71) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7824080 0.90 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6782755 0.88 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6777933 0.86 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL612700 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7834995 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6776883 0.86 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7338116 0.86 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7833841 0.85 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7347064 0.85 GPR139 (0.46) ITGB3ITGAVITGB1ITGA5ITGB6

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