SCHEMBL382802

SCHEMBL382802

CC(C)(C)[C@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.37
ITGAV P06756 8/20 0.37
ITGA2B P08514 8/20 0.37
NPY2R P49146 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CTSS P25774 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KIF18A Q8NI77 1/20 0.32

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
SCHEMBL6507479 0.94 ITGB3 (0.36) ITGB3ITGAVITGA2BHRH4HRH3
SCHEMBL382826 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2BNPY2RALDH1A1
SCHEMBL6501648 0.86 KAT6A (0.39) ITGB3ITGAVITGA2BCTSSDRD2
SCHEMBL6497874 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BNPY2RKIF18A
SCHEMBL383098 0.85 ITGB3 (0.50) ITGB3ITGAVITGA2BNPY2R
SCHEMBL382800 0.84 ITGB3 (0.36) ITGB3ITGAVITGA2BNPY2RHRH4
SCHEMBL383161 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382191 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382990 0.83 ITGB3 (0.38) ITGB3ITGAVDRD2DRD3ALDH1A1
SCHEMBL6500480 0.83 ITGB3 (0.38) ITGB3ITGAVITGA2BDRD2DRD3

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