SCHEMBL6436618

SCHEMBL6436618

CCOC(=O)C[C@@H](c1cncc(OC)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.64
ITGB3 P05106 18/20 0.64
ITGB6 P18564 6/20 0.64
ITGB8 P26012 5/20 0.64
ITGA2B P08514 3/20 0.64
ITGB1 P05556 2/20 0.64
ITGA5 P08648 2/20 0.64
ITGB5 P18084 2/20 0.45

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
SCHEMBL6436616 1.00 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6436728 0.92 ITGAV (0.65) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6436730 0.92 ITGAV (0.65) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6436373 0.88 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6432171 0.88 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6432004 0.88 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6432186 0.87 ITGAV (0.84) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6432185 0.87 ITGAV (0.84) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL22223395 0.86 ITGAV (0.85) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL22223449 0.84 ITGAV (0.71) ITGAVITGB3ITGB6ITGB8ITGA2B

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-1040111-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-06-22 EP disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 US disclosed