SCHEMBL4665028

SCHEMBL4665028

Nc1ccn([C@]2(C(=O)c3ccc(F)cc3)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.46
PDE4D Q08499 1/20 0.46
SLC29A1 Q99808 1/20 0.46
LMNA P02545 5/20 0.43
MTOR P42345 2/20 0.43
THRB P10828 1/20 0.43
MDM2 Q00987 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CACNA1F O60840 2/20 0.33
ALB P02768 2/20 0.33
MAPT P10636 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
POLA1 P09884 2/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL441998 0.90 PDE3A (0.45) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28758788 0.88 PDE4D (0.42) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL30514303 0.85 LMNA (0.50) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL331769 0.84 LMNA (0.49) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL26666720 0.84 LMNA (0.49) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL9868819 0.83 POLA1 (0.44) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL1525217 0.83 PDE3A (0.45) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL236109 0.83 PDE3A (0.48) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL4586055 0.82 PDE3A (0.41) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL9163275 0.82 PDE3A (0.42) PDE3APDE4DSLC29A1LMNAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed