SCHEMBL7437670

SCHEMBL7437670

CN(C)c1ncc(C(CC(=O)O)CC(=O)CCCCc2ccc3c(n2)NCCC3)cn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.66
ITGB3 P05106 15/20 0.66
ITGB6 P18564 8/20 0.61
ITGB8 P26012 8/20 0.61
ITGB5 P18084 4/20 0.56

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
SCHEMBL7438006 1.00 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7441211 1.00 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7544845 0.91 ITGAV (0.62) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7442229 0.91 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439008 0.91 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5824333 0.91 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7443940 0.89 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7441291 0.89 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439662 0.89 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439482 0.88 ITGAV (0.66) 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 4 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
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed