SCHEMBL7439664

SCHEMBL7439664

O=C(O)CC(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.82
ITGB3 P05106 16/20 0.82
ITGA2B P08514 5/20 0.70
ITGB5 P18084 4/20 0.67
ITGB6 P18564 5/20 0.66
ITGB8 P26012 5/20 0.66

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
SCHEMBL7448931 1.00 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7444473 1.00 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421874 0.92 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421564 0.90 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6359531 0.90 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421303 0.90 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7434911 0.87 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7447983 0.87 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7439077 0.87 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7433674 0.87 ITGAV (0.64) ITGAVITGB3ITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589145-A Alpha v integrin receptor antagonists MERCK & CO INC (US) 2005-03-02 CN disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed