SCHEMBL7456507

SCHEMBL7456507

O=C(CCCN/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TGM2 P21980 1/20 0.34
PRCP P42785 1/20 0.33
ENPP2 Q13822 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
PLCG1 P19174 1/20 0.31
EPHX1 P07099 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30

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
SCHEMBL7456513 1.00 DPP8 (0.38) DPP8DPP9TGM2PRCPENPP2
SCHEMBL7454234 0.96 DPP8 (0.36) DPP8DPP9TGM2ENPP2MEN1
SCHEMBL7454227 0.96 DPP8 (0.36) DPP8DPP9TGM2ENPP2MEN1
SCHEMBL7457683 0.95 DPP8 (0.38) DPP8DPP9TGM2PRCPENPP2
SCHEMBL7457680 0.95 DPP8 (0.38) DPP8DPP9TGM2PRCPENPP2
SCHEMBL7453411 0.92 DPP8 (0.35) DPP8DPP9TGM2MEN1KMT2A
SCHEMBL7453395 0.92 DPP8 (0.35) DPP8DPP9TGM2MEN1KMT2A
SCHEMBL7453944 0.88 DPP8 (0.35) DPP8DPP9TGM2MEN1KMT2A
SCHEMBL7453949 0.88 DPP8 (0.35) DPP8DPP9TGM2MEN1KMT2A
SCHEMBL8104535 0.87 DPP8 (0.38) DPP8DPP9TGM2HTT

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