SCHEMBL6470347

SCHEMBL6470347

CCC1CCC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccc(Cl)cc21

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.71
ITGAV P06756 18/20 0.71
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5023975 0.92 ITGB3 (0.84) ITGB3ITGAV
SCHEMBL5028419 0.83 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5028370 0.83 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5025374 0.83 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5026318 0.81 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5025473 0.80 ITGB3 (0.88) ITGB3ITGAV
SCHEMBL6425383 0.80 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL6424300 0.78 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5029981 0.78 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5023982 0.77 ITGB3 (0.61) ITGB3ITGAV

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-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed