SCHEMBL7433962

SCHEMBL7433962

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 20/20 0.52
ITGB5 P18084 7/20 0.49
ITGB6 P18564 5/20 0.49
ITGB8 P26012 5/20 0.49
ITGA2B P08514 1/20 0.47

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
SCHEMBL7445119 0.90 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7433674 0.90 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7436966 0.90 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL14608716 0.85 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL14608717 0.83 ITGAV (0.68) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5248211 0.82 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5251715 0.82 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7434310 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7434572 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7434305 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8

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