SCHEMBL4582122

SCHEMBL4582122

NN(C(=O)[C@H](CCC1CC1)CN(O)C=O)c1nccc(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRM4 P08173 1/20 0.32
NPY2R P49146 1/20 0.32
CCR5 P51681 1/20 0.32
LNPEP Q9UIQ6 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
ACACB O00763 3/20 0.31
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL4582129 1.00 HCRTR1 (0.33) HCRTR1HCRTR2CHRM2CHRM3CHRM4
SCHEMBL2783313 0.86 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL2783312 0.86 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL2784832 0.85 CCR5 (0.31) HCRTR1HCRTR2CCR5PTGDR2
SCHEMBL2784825 0.85 CCR5 (0.31) HCRTR1HCRTR2CCR5PTGDR2
SCHEMBL2784829 0.85 CCR5 (0.31) HCRTR1HCRTR2CCR5PTGDR2
SCHEMBL2782498 0.83 BMP1 (0.37)
SCHEMBL2782495 0.83 BMP1 (0.37)
SCHEMBL4581885 0.81 PRMT5 (0.32) GPBAR1PTGDR2
SCHEMBL4581873 0.81 PRMT5 (0.32) GPBAR1PTGDR2

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