SCHEMBL12487495

SCHEMBL12487495

O=C(O)C[C@@H](CC1CCCC1)C(=O)N1N=CCC1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 12/20 0.60
F2 P00734 1/20 0.42
GCK P35557 2/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL12487915 0.88 PDF (0.55) PDFF2GCK
SCHEMBL12487728 0.87 PDF (0.54) PDFF2DPP4
SCHEMBL12487874 0.86 PDF (0.55) PDFF2DPP4
SCHEMBL16269976 0.85 PDF (0.52) PDF
SCHEMBL12487979 0.85 PDF (0.43) PDFF2GCK
SCHEMBL27955613 0.85 PDF (0.43) PDFF2GCK
SCHEMBL27955615 0.82 PDF (0.52) PDFF2DPP4
SCHEMBL12487488 0.82 PDF (0.52) PDFF2DPP4
SCHEMBL27955608 0.81 F2 (0.42) PDFF2DPP4
SCHEMBL12487608 0.81 F2 (0.42) PDFF2DPP4

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-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed