SCHEMBL7453530

SCHEMBL7453530

O=C(CN/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
EPHX2 P34913 1/20 0.34
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
ENPP2 Q13822 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
SCHEMBL7453533 1.00 CCR2 (0.36) CCR2DPP8DPP9ALDH1A1HSD11B1
SCHEMBL7453669 0.96 ALDH1A1 (0.36) CCR2DPP8DPP9ALDH1A1MEN1
SCHEMBL7453675 0.96 ALDH1A1 (0.36) CCR2DPP8DPP9ALDH1A1MEN1
SCHEMBL7453395 0.94 DPP8 (0.35) CCR2DPP8DPP9ALDH1A1MEN1
SCHEMBL7453411 0.94 DPP8 (0.35) CCR2DPP8DPP9ALDH1A1MEN1
SCHEMBL7457680 0.92 DPP8 (0.38) DPP8DPP9ALDH1A1HSD11B1MEN1
SCHEMBL7457683 0.92 DPP8 (0.38) DPP8DPP9ALDH1A1HSD11B1MEN1
SCHEMBL7453153 0.91 DPP8 (0.35) CCR2DPP8DPP9ALDH1A1HSD11B1
SCHEMBL7453157 0.91 DPP8 (0.35) CCR2DPP8DPP9ALDH1A1HSD11B1
SCHEMBL8102812 0.91 CCR2 (0.38) CCR2DPP8DPP9ALDH1A1HSD11B1

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