SCHEMBL382190

SCHEMBL382190

COc1cc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2C(C)(C)C)C(=O)O)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.63
ITGB3 P05106 12/20 0.63
ITGA2B P08514 12/20 0.63
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL383097 0.91 ITGAV (0.60) ITGAVITGB3ITGA2B
SCHEMBL382825 0.90 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL382927 0.90 ITGB3 (0.76) ITGAVITGB3ITGA2B
SCHEMBL6497858 0.89 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL382492 0.87 ITGB3 (0.70) ITGAVITGB3ITGA2B
SCHEMBL383160 0.87 ITGAV (0.58) ITGAVITGB3ITGA2B
SCHEMBL383234 0.86 ITGB3 (0.69) ITGAVITGB3ITGA2B
SCHEMBL6499264 0.86 ITGAV (0.49) ITGAVITGB3ITGA2B
SCHEMBL381829 0.85 ITGB3 (0.57) ITGAVITGB3ITGA2BDRD2DRD3
SCHEMBL382801 0.84 ITGAV (0.46) ITGAVITGB3ITGA2B

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