SCHEMBL4581885

SCHEMBL4581885

NN(C(=O)C(CN(O)C=O)C1CCCCCC1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
TRPV3 Q8NET8 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
IDH1 O75874 1/20 0.30
IDH2 P48735 1/20 0.30
ACKR3 P25106 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4581873 1.00 PRMT5 (0.32) PRMT5WDR77GPBAR1TRPV3PTGDR2
SCHEMBL4581881 1.00 PRMT5 (0.32) PRMT5WDR77GPBAR1TRPV3PTGDR2
SCHEMBL4582122 0.81 HCRTR1 (0.33) GPBAR1PTGDR2
SCHEMBL4582129 0.81 HCRTR1 (0.33) GPBAR1PTGDR2
SCHEMBL2784832 0.80 CCR5 (0.31) PTGDR2
SCHEMBL2784825 0.80 CCR5 (0.31) PTGDR2
SCHEMBL2784829 0.80 CCR5 (0.31) PTGDR2
SCHEMBL1596116 0.79 GAA (0.39) PRMT5WDR77PTGDR2IDH1IDH2
SCHEMBL1596122 0.79 GAA (0.39) PRMT5WDR77PTGDR2IDH1IDH2
SCHEMBL1596249 0.79 GAA (0.39) PRMT5WDR77PTGDR2IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed