SCHEMBL6423205

SCHEMBL6423205

CCOC(=O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.81
ITGAV P06756 20/20 0.81
ITGB5 P18084 11/20 0.63
ITGB6 P18564 11/20 0.63
ITGB8 P26012 11/20 0.63

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
SCHEMBL7995002 0.93 ITGB3 (0.82) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420861 0.90 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420863 0.90 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422671 0.90 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6105718 0.89 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421100 0.89 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6105960 0.88 ITGB3 (0.62) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421320 0.86 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421324 0.86 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6422001 0.85 ITGAV (0.91) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed