SCHEMBL383468

SCHEMBL383468

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)NC[C@H](NS(=O)(=O)c3ccccc3C(C)(C)C)C(=O)O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
ITGAV P06756 14/20 0.51
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ITGA2 P17301 1/20 0.41

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
SCHEMBL7664581 0.90 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL383160 0.84 ITGAV (0.58) ITGB3ITGA2BITGAVITGA2
SCHEMBL382572 0.80 ITGAV (0.53) ITGB3ITGA2BITGAVITGA2
SCHEMBL383584 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL460324 0.78 ITGAV (0.53) ITGB3ITGA2BITGAVITGA2
SCHEMBL382659 0.77 ITGAV (0.51) ITGB3ITGA2BITGAV
SCHEMBL6499264 0.76 ITGAV (0.49) ITGB3ITGA2BITGAVITGA2
SCHEMBL7470163 0.76 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL383097 0.75 ITGAV (0.60) ITGB3ITGA2BITGAV
SCHEMBL7658148 0.75 ITGB3 (0.68) 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