SCHEMBL6861629

SCHEMBL6861629

O=C(CCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.57
ITGA2B P08514 16/20 0.57
ITGAV P06756 12/20 0.57
ITGB1 P05556 1/20 0.51
ITGB5 P18084 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL6869118 0.93 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6866425 0.92 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6871462 0.92 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6870327 0.90 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6868790 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6861751 0.88 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6870984 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6869283 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6868159 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6868486 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5

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