SCHEMBL6880260

SCHEMBL6880260

Cc1cc(C)c(S(=O)(=O)N[C@@H](Cn2cnc3c(N4CCC(C(=O)NC5=NCCCN5)CC4)ncnc32)C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.39
ITGAV P06756 7/20 0.39
ITGA2B P08514 6/20 0.39
EPHX2 P34913 4/20 0.34
LMNA P02545 1/20 0.34
NCOA1 Q15788 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
UBE2N P61088 1/20 0.32
ITGB1 P05556 1/20 0.32
LIMK2 P53671 2/20 0.32

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
SCHEMBL6880511 0.91 ITGAV (0.46) ITGB3ITGAVITGA2BLMNAITGB1
SCHEMBL6884349 0.91 ITGB3 (0.37) ITGB3ITGAVITGA2BLMNAKMT2A
Benzene SCHEMBL6882109 0.89 MAPT (0.35) ITGB3ITGAVITGA2BLMNAKMT2A
SCHEMBL6873951 0.89 ITGB3 (0.41) ITGB3ITGAVITGA2BEPHX2MAPT
SCHEMBL6882858 0.88 CHKA (0.34) ITGB3ITGAVITGA2BNCOA1KMT2A
SCHEMBL6879623 0.87 MAPT (0.34) ITGB3ITGAVITGA2BNCOA1KMT2A
SCHEMBL6881802 0.87 ITGB3 (0.36) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL6873497 0.87 ITGB3 (0.36) ITGB3ITGAVITGA2BNCOA1KMT2A
SCHEMBL6881852 0.87 ITGB3 (0.38) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL6880251 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BLMNAMAPT

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
US-6747016-B1 TREATING OSTEOPOROSIS IN WARM-BLOODED ANIMALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-08 US disclosed
EP-1196416-B1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-03-24 EP disclosed
EP-1196416-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP disclosed
WO-2001002399-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-11 WO disclosed
EP-1065208-A1 Substituted purine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed