SCHEMBL7494281

SCHEMBL7494281

O=C(N[C@@H](Cc1ccc(OCCCCNc2ncccn2)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.69
ITGA2B P08514 5/20 0.69
ITGB1 P05556 9/20 0.64
ITGA5 P08648 8/20 0.64
ITGAV P06756 4/20 0.59
GPR132 Q9UNW8 3/20 0.55
MDM4 O15151 1/20 0.55
MDM2 Q00987 1/20 0.55
ITGA4 P13612 1/20 0.54

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
SCHEMBL7494247 1.00 ITGB3 (0.69) ITGB3ITGA2BITGB1ITGA5ITGAV
Hydrochloric Acid SCHEMBL7482009 0.99 ITGB3 (0.67) ITGB3ITGA2BITGB1ITGA5ITGAV
Hydrochloric Acid SCHEMBL7482028 0.99 ITGB3 (0.67) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7490295 0.91 GAA (0.60) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7490286 0.91 GAA (0.60) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL14270723 0.87 ITGB1 (0.78) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL23668041 0.83 ITGB1 (0.77) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7490266 0.82 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7490276 0.82 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL18067793 0.81 ITGB3 (0.72) ITGB3ITGA2BITGB1ITGA5ITGAV

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 1 patent. 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