SCHEMBL382655

SCHEMBL382655

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(NC3=NCCN3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.75
▸ ITGA2B P08514 17/20 0.75
▸ ITGAV P06756 16/20 0.75

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
SCHEMBL382860 0.90 ITGB3 (0.92) ITGB3ITGA2BITGAV
SCHEMBL382825 0.88 ITGAV (0.61) ITGB3ITGA2BITGAV
SCHEMBL382753 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL30856557 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL383584 0.84 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL6497858 0.83 ITGAV (0.54) ITGB3ITGA2BITGAV
SCHEMBL382268 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL382953 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL382632 0.82 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL381992 0.81 ITGB3 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 — — EP disclosed
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