SCHEMBL7995002

SCHEMBL7995002

CCOC(=O)CC(NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGAV P06756 20/20 0.82
ITGB5 P18084 10/20 0.55
ITGA2B P08514 4/20 0.55
ITGB6 P18564 8/20 0.54
ITGB8 P26012 8/20 0.54

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
SCHEMBL6423205 0.93 ITGB3 (0.81) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7995239 0.90 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL7380579 0.87 ITGB3 (0.61) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6420861 0.83 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422671 0.83 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420863 0.83 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6105718 0.82 ITGB3 (0.63) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6421100 0.82 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6105960 0.81 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6424882 0.80 ITGAV (0.60) ITGB3ITGAVITGB5ITGA2BITGB6

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-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed