SCHEMBL7945593

SCHEMBL7945593

C=CC(CC(=O)O)N1CC[C@H](CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGAV P06756 20/20 0.67
ITGB5 P18084 8/20 0.55
ITGB1 P05556 1/20 0.53

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
SCHEMBL4368823 1.00 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB1
SCHEMBL7945682 0.85 ITGB3 (0.65) ITGB3ITGAVITGB5ITGB1
SCHEMBL7945684 0.85 ITGB3 (0.65) ITGB3ITGAVITGB5ITGB1
SCHEMBL6432333 0.81 ITGAV (0.68) ITGB3ITGAVITGB5ITGB1
SCHEMBL6432181 0.81 ITGAV (0.68) ITGB3ITGAVITGB5ITGB1
SCHEMBL6432177 0.81 ITGAV (0.68) ITGB3ITGAVITGB5ITGB1
SCHEMBL3889356 0.81 ITGAV (0.72) ITGB3ITGAVITGB5ITGB1
SCHEMBL3889354 0.81 ITGAV (0.72) ITGB3ITGAVITGB5ITGB1
SCHEMBL4368391 0.80 ITGAV (0.74) ITGB3ITGAVITGB5
SCHEMBL4371251 0.80 ITGAV (0.74) ITGB3ITGAVITGB5

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
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed