SCHEMBL12488015

SCHEMBL12488015

O=C(C[C@@H](CC1CCCC1)C(=O)N1N=CC[C@H]1C(=O)Nc1ccc(F)c[n+]1[O-])NOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 7/20 0.38
DPP4 P27487 11/20 0.36
F2 P00734 1/20 0.35
CTSS P25774 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
SCHEMBL12487507 0.87 PDF (0.50) PDFDPP4CTSS
SCHEMBL12487693 0.85 PDF (0.49) PDFDPP4F2
SCHEMBL12487874 0.85 PDF (0.55) PDFDPP4F2
SCHEMBL12487648 0.84 PDF (0.36) PDFDPP4F2
SCHEMBL12487769 0.82 PDF (0.41) PDFF2
SCHEMBL12487024 0.79 ATM (0.37) PDFDPP4F2CTSS
SCHEMBL12487738 0.79 CFD (0.38) PDFDPP4F2
SCHEMBL12486957 0.76 CTSS (0.45) DPP4F2CTSS
SCHEMBL12486756 0.74 F2 (0.34) PDFF2
SCHEMBL27955616 0.72 PDF (0.63) PDFDPP4

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