SCHEMBL383201

SCHEMBL383201

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.40
ITGAV P06756 9/20 0.40
ITGA2B P08514 9/20 0.40
IRAK4 Q9NWZ3 6/20 0.34
EPHX2 P34913 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
NPY2R P49146 1/20 0.33
MTTP P55157 1/20 0.33

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
SCHEMBL383374 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL381824 0.85 ITGB3 (0.38) ITGB3ITGAVITGA2BEPHX2DRD2
SCHEMBL382801 0.85 ITGAV (0.46) ITGB3ITGAVITGA2B
SCHEMBL382203 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL382290 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL382611 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL381745 0.82 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL382873 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL381767 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL381829 0.81 ITGB3 (0.57) 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