SCHEMBL6868486

SCHEMBL6868486

O=C(CCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.59
ITGA2B P08514 14/20 0.59
ITGAV P06756 10/20 0.59
ITGB1 P05556 2/20 0.48
ITGB5 P18084 1/20 0.48
TYMS P04818 2/20 0.43
F2 P00734 1/20 0.42
ITGA4 P13612 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
SCHEMBL6869337 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7216172 0.89 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7216180 0.89 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6869118 0.88 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6861751 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6870984 0.83 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6866425 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6861629 0.83 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6871462 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL14547079 0.82 ITGB3 (0.71) ITGB3ITGA2BITGAV

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-1155003-B1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-08-11 EP disclosed
US-6340679-B1 FOR INHIBITING BONE RESORPTION, OSTEOPOROSIS, TUMOR GROWTH OR TUMOR METASTASIS, INFLAMMATION, OR FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES, RETINOPATHIES OR RHEUMATOID ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-22 US disclosed
EP-1155003-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2001-11-21 EP disclosed
WO-2000047564-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-17 WO disclosed
EP-1028114-A1 Novel guanidine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2000-08-16 EP disclosed