SCHEMBL382622

SCHEMBL382622

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNCc1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.44
ITGA2B P08514 11/20 0.44
ITGAV P06756 9/20 0.44
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
MOGAT2 Q3SYC2 2/20 0.37
ITGB1 P05556 3/20 0.37
ITGA5 P08648 3/20 0.37
ITGB5 P18084 3/20 0.37
F2 P00734 2/20 0.36

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
SCHEMBL381814 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383160 0.88 ITGAV (0.58) ITGB3ITGA2BITGAV
SCHEMBL6499264 0.82 ITGAV (0.49) ITGB3ITGA2BITGAV
SCHEMBL6501630 0.82 ITGAV (0.46) ITGB3ITGA2BITGAV
SCHEMBL6500457 0.81 ITGAV (0.47) ITGB3ITGA2BITGAV
SCHEMBL382418 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6498446 0.80 ITGAV (0.48) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6507464 0.78 ITGAV (0.45) ITGB3ITGA2BITGAV
SCHEMBL383097 0.78 ITGAV (0.60) ITGB3ITGA2BITGAV
SCHEMBL382801 0.78 ITGAV (0.46) 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