SCHEMBL382989

SCHEMBL382989

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.36
ITGAV P06756 7/20 0.36
PRMT5 O14744 1/20 0.34
ITGA2B P08514 5/20 0.34
GRIN2B Q13224 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 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
SCHEMBL382401 0.88 ITGB3 (0.46) ITGB3ITGAVPRMT5ITGA2BGRIN2B
SCHEMBL383137 0.85 ITGB3 (0.49) ITGB3ITGAVPRMT5ITGA2BLMNA
SCHEMBL381720 0.85 ITGB3 (0.43) ITGB3ITGAVPRMT5ITGA2BGRIN2B
SCHEMBL6499257 0.83 PRMT5 (0.38) ITGB3ITGAVPRMT5ITGA2BGRIN2B
SCHEMBL382907 0.82 GRIN2B (0.35) ITGB3ITGAVPRMT5GRIN2BL3MBTL1
SCHEMBL382611 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL383201 0.79 ITGB3 (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382990 0.79 ITGB3 (0.38) ITGB3ITGAVPRMT5GRIN2BMAPT
SCHEMBL381824 0.78 ITGB3 (0.38) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382988 0.77 PRMT5 (0.38) ITGB3ITGAVPRMT5GRIN2BL3MBTL1

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