SCHEMBL383584

SCHEMBL383584

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCCN3)CC2)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.77
ITGAV P06756 18/20 0.77
ITGA2B P08514 17/20 0.77

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
SCHEMBL382705 0.89 ITGB3 (0.95) ITGB3ITGAVITGA2B
SCHEMBL382772 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL383160 0.85 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL382655 0.84 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL382936 0.84 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL382415 0.83 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL382572 0.81 ITGAV (0.53) ITGB3ITGAVITGA2B
SCHEMBL382717 0.81 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL460324 0.80 ITGAV (0.53) ITGB3ITGAVITGA2B
SCHEMBL383468 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2B

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