SCHEMBL7487143

SCHEMBL7487143

O=C(O)[C@H](Cc1ccc(OCCCCNC2=NCCN2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.63
ITGA2B P08514 17/20 0.63
ITGAV P06756 7/20 0.62
ITGB1 P05556 1/20 0.51
ITGB5 P18084 1/20 0.51
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL8457211 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL6869118 0.82 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7490912 0.81 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7490276 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7490266 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7484493 0.77 ITGB3 (0.60) ITGB3ITGA2BMMP2MMP9
SCHEMBL7039327 0.77 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7108722 0.77 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7490090 0.77 ITGB3 (0.62) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL8802408 0.77 ITGB3 (0.62) ITGB3ITGA2BITGAVMMP2MMP9

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 8 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-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP claimed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP claimed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO claimed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed