SCHEMBL7980834

SCHEMBL7980834

O=C(O)CNC(=O)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.77
ITGAV P06756 20/20 0.77
ITGB5 P18084 9/20 0.62
ITGB6 P18564 8/20 0.62
ITGB8 P26012 8/20 0.62
ITGA2B P08514 2/20 0.59

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
SCHEMBL7376995 0.91 ITGB3 (0.86) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL10051022 0.87 ITGAV (0.71) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6262063 0.87 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421618 0.87 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL10051072 0.86 ITGAV (0.68) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21706071 0.86 ITGB3 (0.90) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL22029444 0.86 ITGB3 (0.90) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6424214 0.86 ITGB3 (0.72) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL29416400 0.86 ITGB3 (0.72) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6266479 0.85 ITGAV (0.67) 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 2 patents. 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
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed