SCHEMBL6793124

SCHEMBL6793124

O=C(NC[C@H](O)C(=O)O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGAV P06756 19/20 0.71
ITGA2B P08514 12/20 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
SCHEMBL6797319 0.91 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7474768 0.90 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL383017 0.90 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL6797761 0.86 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL6798619 0.86 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL7466289 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL382772 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6793131 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7656746 0.82 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL6797331 0.82 ITGB3 (0.58) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US claimed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP claimed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed