SCHEMBL7488462

SCHEMBL7488462

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCNc2ncccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.72
ITGA2B P08514 15/20 0.72
ITGAV P06756 7/20 0.71

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
Trifluoroacetic Acid SCHEMBL7495244 0.95 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7486656 0.89 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7037924 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7490874 0.86 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL8460133 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7490912 0.85 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7037266 0.84 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7487559 0.83 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL244700 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6649836 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP claimed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed