SCHEMBL6300576

SCHEMBL6300576

O=C(O)CC1C(=O)N(CC(=O)NCc2cccc(CNC3=NCCN3)c2)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGAV P06756 5/20 0.43
ITGA2B P08514 2/20 0.43
ITGB5 P18084 2/20 0.43
WDR5 P61964 10/20 0.43
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.36
BDKRB1 P46663 1/20 0.36

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
SCHEMBL6308242 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5MEN1
Trifluoroacetic Acid SCHEMBL6307546 0.82 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB5MEN1
SCHEMBL6300679 0.79 BDKRB1 (0.39) ITGB3ITGAVITGA2BITGB5BDKRB1
Trifluoroacetic Acid SCHEMBL6302651 0.75 BDKRB1 (0.37) ITGB3ITGAVITGA2BITGB5BDKRB1
SCHEMBL6307550 0.74 TRPM8 (0.38) ITGB3ITGAVITGA2BITGB5MEN1
SCHEMBL6301697 0.73 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL6302598 0.72 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL6308297 0.72 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6306650 0.71 WDR5 (0.64) WDR5
SCHEMBL6300242 0.70 ALDH1A1 (0.35) ITGB3ITGAVMEN1ALDH1A1KMT2A

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
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed