SCHEMBL12487693

SCHEMBL12487693

O=C(C[C@@H](CC1CCCC1)C(=O)N1N=CC[C@H]1C(=O)Nc1ccccc1)NOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 8/20 0.49
DPP4 P27487 6/20 0.43
F2 P00734 1/20 0.39
RAB9A P51151 1/20 0.36
MMP1 P03956 1/20 0.35
FCER2 P06734 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL12487769 0.90 PDF (0.41) PDFF2RAB9A
SCHEMBL12487874 0.87 PDF (0.55) PDFDPP4F2
SCHEMBL12487552 0.87 PDF (0.63) PDFDPP4MMP1FCER2
SCHEMBL27955616 0.87 PDF (0.63) PDFDPP4MMP1FCER2
SCHEMBL12487024 0.86 ATM (0.37) PDFDPP4F2MMP1FCER2
SCHEMBL12487738 0.86 CFD (0.38) PDFDPP4F2
SCHEMBL27955615 0.86 PDF (0.52) PDFDPP4F2EPHX2
SCHEMBL12487488 0.86 PDF (0.52) PDFDPP4F2EPHX2
SCHEMBL12487648 0.85 PDF (0.36) PDFDPP4F2MMP1
SCHEMBL12488015 0.85 PDF (0.38) PDFDPP4F2

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