SCHEMBL7217748

SCHEMBL7217748

CC(C)(C)OC(=O)C(CNC(=O)c1cc(=O)n2cc(OCCCN)ccc2c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.56
▸ ITGA2B P08514 16/20 0.56
▸ ITGAV P06756 5/20 0.44
▸ ITGB5 P18084 1/20 0.37

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
SCHEMBL7217740 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5
SCHEMBL7222147 0.91 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7222156 0.91 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7215526 0.91 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7215532 0.91 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7216577 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7216571 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7216620 0.90 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB5
SCHEMBL7217849 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7217855 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 — — US disclosed
EP-1115724-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2001-07-18 — — EP disclosed
WO-2000017197-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS BIOCHEM PHARMA INC. (US) 2000-03-30 — — WO disclosed
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