SCHEMBL7456158

SCHEMBL7456158

CN(CC(=O)N[C@H]1CCN(C(=O)O)C1)/C(=N/C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
EPHX2 P34913 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HSD11B1 P28845 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CCR5 P51681 2/20 0.34
EPHX1 P07099 1/20 0.34
PLCG1 P19174 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL7456160 1.00 SIGMAR1 (0.39) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL7457350 0.94 DPP8 (0.37) SIGMAR1DPP8DPP9CTSLTDP1
SCHEMBL7457355 0.94 DPP8 (0.37) SIGMAR1DPP8DPP9CTSLTDP1
SCHEMBL7448985 0.86 CCR5 (0.33) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL7448980 0.86 CCR5 (0.33) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL8102844 0.85 SIGMAR1 (0.34) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL8102842 0.85 SIGMAR1 (0.34) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL7456168 0.84 SIGMAR1 (0.39) SIGMAR1EPHX2DPP8DPP9TDP1
SCHEMBL7456001 0.84 CCR2 (0.41) SIGMAR1EPHX2DPP8DPP9HSD11B1
SCHEMBL7456007 0.84 CCR2 (0.41) SIGMAR1EPHX2DPP8DPP9HSD11B1

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-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed