SCHEMBL7439646

SCHEMBL7439646

O=C(O)C[C@H](CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2c(c1)OCCO2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.63
ITGB3 P05106 14/20 0.63
ITGB6 P18564 8/20 0.58
ITGB8 P26012 7/20 0.58
ITGB5 P18084 1/20 0.56
ITGB1 P05556 1/20 0.55
ITGA2B P08514 1/20 0.55

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
SCHEMBL7438185 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7438207 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7440561 0.87 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7434333 0.87 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7434321 0.87 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5250333 0.87 ITGAV (0.60) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL5250337 0.87 ITGAV (0.60) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL5254378 0.87 ITGAV (0.60) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL27612659 0.86 ITGAV (0.55) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7448931 0.85 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP claimed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP claimed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO claimed
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO disclosed