SCHEMBL6879633

SCHEMBL6879633

CC(C)CS(=O)(=O)N[C@@H](Cn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.35
ITGAV P06756 14/20 0.35
ITGA2B P08514 14/20 0.35
STAT3 P40763 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6883915 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BSTAT3KMT2A
Benzene SCHEMBL6884463 0.91 ITGB3 (0.40) ITGB3ITGAVITGA2BSTAT3KMT2A
SCHEMBL6883107 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BSTAT3KMT2A
SCHEMBL6879623 0.91 MAPT (0.34) ITGB3ITGAVITGA2BSTAT3KMT2A
SCHEMBL6884447 0.89 ITGB3 (0.39) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6881843 0.88 CHKA (0.37) ITGB3ITGAVITGA2BSTAT3KMT2A
SCHEMBL6881760 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL6880511 0.86 ITGAV (0.46) ITGB3ITGAVITGA2B
SCHEMBL6881785 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BMAPT
SCHEMBL6876078 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BKMT2AMEN1

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