SCHEMBL6432137

SCHEMBL6432137

O=C(O)CC(c1cnc2c(c1)NC(=O)CO2)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.68
ITGB3 P05106 15/20 0.68
ITGB6 P18564 6/20 0.67
ITGB8 P26012 6/20 0.67
ITGB1 P05556 2/20 0.67
ITGA5 P08648 2/20 0.67
ITGA2B P08514 2/20 0.67

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
SCHEMBL6436405 1.00 ITGAV (0.68) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432144 1.00 ITGAV (0.68) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432377 0.91 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6433162 0.91 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432369 0.91 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6433120 0.90 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6433132 0.90 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6435936 0.90 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432307 0.85 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6433048 0.85 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB1

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 3 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 claimed
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