SCHEMBL382659

SCHEMBL382659

COc1ccc(CN2CCN=C2NC2CCN(c3ccc(C(=O)NC[C@H](NS(=O)(=O)c4ccccc4C(C)(C)C)C(=O)O)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.51
ITGB3 P05106 13/20 0.51
ITGA2B P08514 13/20 0.51
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7652751 0.91 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL383160 0.80 ITGAV (0.58) ITGAVITGB3ITGA2B
SCHEMBL382660 0.79 MAPT (0.42) ITGAVITGB3ITGA2BLMNAMAPT
SCHEMBL383584 0.78 ITGB3 (0.77) ITGAVITGB3ITGA2B
SCHEMBL7652767 0.78 ITGB3 (0.44) ITGAVITGB3ITGA2BLMNAMAPT
SCHEMBL383468 0.77 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL7652758 0.77 GFER (0.43) ITGAVITGB3ITGA2BLMNAMAPT
SCHEMBL382657 0.77 ALDH1A1 (0.42) ITGAVITGB3ITGA2BLMNAMAPT
SCHEMBL382658 0.76 MAPT (0.40) ITGAVITGB3ITGA2BLMNAMAPT
SCHEMBL382572 0.76 ITGAV (0.53) 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