SCHEMBL6868159

SCHEMBL6868159

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.51
ITGAV P06756 16/20 0.51
ITGA2B P08514 17/20 0.49
ITGB1 P05556 1/20 0.48
ITGB5 P18084 1/20 0.48
BCL2 P10415 1/20 0.41

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
SCHEMBL6866389 0.93 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868790 0.93 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868246 0.92 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6861835 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6869118 0.90 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6869337 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6871462 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6861629 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6866425 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL5560120 0.83 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5

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