SCHEMBL7437433

SCHEMBL7437433

O=C(O)C[C@@H](CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cncnc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.80
ITGB3 P05106 19/20 0.80
ITGB6 P18564 9/20 0.61
ITGB8 P26012 8/20 0.61
ITGB5 P18084 8/20 0.60
ITGA2B P08514 1/20 0.58

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
SCHEMBL7437407 1.00 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439729 1.00 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7442229 0.89 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7439008 0.89 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5824333 0.89 ITGAV (0.80) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL6359092 0.89 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6422506 0.89 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6422511 0.89 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL7439662 0.88 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7441291 0.88 ITGAV (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed