SCHEMBL7445119

SCHEMBL7445119

O=C(O)C[C@@H](CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.64
ITGB3 P05106 16/20 0.64
ITGB6 P18564 8/20 0.58
ITGB8 P26012 8/20 0.58
ITGB5 P18084 5/20 0.58
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
SCHEMBL7433674 1.00 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7436966 1.00 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7433962 0.90 ITGB3 (0.52) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL27612659 0.87 ITGAV (0.55) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439664 0.87 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7444473 0.87 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7448931 0.87 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7434572 0.86 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7434305 0.86 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7434310 0.86 ITGAV (0.63) 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