SCHEMBL382800

SCHEMBL382800

CC(C)(C)C(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.36
ITGAV P06756 6/20 0.36
ITGA2B P08514 6/20 0.36
NPY2R P49146 1/20 0.34
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
MAPK8 P45983 1/20 0.32
KIF18A Q8NI77 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL6507446 0.94 ITGB3 (0.35) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382824 0.87 ITGB3 (0.48) ITGB3ITGAVITGA2BNPY2RALDH1A1
SCHEMBL6497838 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BNPY2RALDH1A1
SCHEMBL6501614 0.85 KAT6A (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383096 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BNPY2RDRD2
SCHEMBL382802 0.84 ITGB3 (0.37) ITGB3ITGAVITGA2BNPY2RDRD2
SCHEMBL382988 0.83 PRMT5 (0.38) ITGB3ITGAVDRD2DRD3ALDH1A1
SCHEMBL383159 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383200 0.83 DRD2 (0.34) NPY2RDRD2DRD3CDK2HRH4
SCHEMBL382189 0.83 ITGB3 (0.50) ITGB3ITGAVITGA2BNPY2RDRD2

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