SCHEMBL7440869

SCHEMBL7440869

Cc1ncc(C(CCCC(=O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.82
ITGB3 P05106 12/20 0.82
ITGA2B P08514 1/20 0.66
ITGB5 P18084 1/20 0.66
ITGB6 P18564 8/20 0.65
ITGB8 P26012 8/20 0.65

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
SCHEMBL7431994 1.00 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7435542 1.00 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6536085 0.90 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6106842 0.90 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL7318506 0.90 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL5252011 0.90 ITGAV (0.67) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7439008 0.89 ITGAV (0.80) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7442229 0.89 ITGAV (0.80) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5824333 0.89 ITGAV (0.80) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6107101 0.88 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8

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