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Sugi Predict / Compounds / SCHEMBL7995239

SCHEMBL7995239

SCHEMBL7995239

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGAV P06756 20/20 1.00
▸ ITGB5 P18084 8/20 0.67
▸ ITGB6 P18564 6/20 0.67
▸ ITGB8 P26012 6/20 0.67
▸ ITGA2B P08514 4/20 0.66

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
SCHEMBL6422671 0.92 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420863 0.92 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420861 0.92 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421100 0.92 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7995002 0.90 ITGB3 (0.82) ITGB3ITGAVITGB5ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6422001 0.88 ITGAV (0.91) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7374380 0.85 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL25819358 0.84 ITGB3 (0.73) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6423205 0.82 ITGB3 (0.81) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL10051072 0.81 ITGAV (0.68) 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 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