SCHEMBL12487648

SCHEMBL12487648

CCc1cccc(NC(=O)[C@@H]2CC=NN2C(=O)[C@@H](CC(=O)NOCc2ccccc2)CC2CCCC2)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 12/20 0.36
F2 P00734 1/20 0.35
ATM Q13315 1/20 0.32
DPP4 P27487 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
CTSD P07339 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
SCHEMBL12487810 0.87 PDF (0.44) PDFMMP1MMP2MMP3
SCHEMBL12487693 0.85 PDF (0.49) PDFF2DPP4MMP1
SCHEMBL12488015 0.84 PDF (0.38) PDFF2DPP4
SCHEMBL12487738 0.84 CFD (0.38) PDFF2ATMDPP4
SCHEMBL12487769 0.82 PDF (0.41) PDFF2
SCHEMBL12487024 0.80 ATM (0.37) PDFF2ATMDPP4MMP1
SCHEMBL12487874 0.79 PDF (0.55) PDFF2DPP4
SCHEMBL12486957 0.76 CTSS (0.45) F2DPP4
SCHEMBL12487552 0.72 PDF (0.63) PDFDPP4MMP1
SCHEMBL27955616 0.72 PDF (0.63) PDFDPP4MMP1

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