SCHEMBL7833884

SCHEMBL7833884

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.71
ITGB1 P05556 12/20 0.71
ITGAV P06756 12/20 0.71
ITGA5 P08648 11/20 0.71
ITGB5 P18084 9/20 0.71
ITGB6 P18564 9/20 0.71
ITGB8 P26012 9/20 0.71
ITGA8 P53708 8/20 0.71
SLC6A9 P48067 2/20 0.45
GPR139 Q6DWJ6 3/20 0.45
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MDM4 O15151 2/20 0.40
MDM2 Q00987 2/20 0.40
CTSA P10619 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7341807 0.95 ITGB3 (0.63) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7834453 0.88 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6783032 0.87 ITGB3 (0.72) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6776883 0.87 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7824080 0.85 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL27504167 0.85 ITGB1 (0.51) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6782755 0.85 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7338116 0.83 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL612700 0.83 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7834995 0.83 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5

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 3 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-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