SCHEMBL7457680

SCHEMBL7457680

O=C(CCCN/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 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ENPP2 Q13822 8/20 0.35
PRCP P42785 1/20 0.34
HSD11B1 P28845 1/20 0.33
TGM2 P21980 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32

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
SCHEMBL7457683 1.00 DPP8 (0.38) DPP8DPP9ENPP2PRCPHSD11B1
SCHEMBL7456507 0.95 DPP8 (0.38) DPP8DPP9ENPP2PRCPTGM2
SCHEMBL7456513 0.95 DPP8 (0.38) DPP8DPP9ENPP2PRCPTGM2
SCHEMBL7453533 0.92 CCR2 (0.36) DPP8DPP9ENPP2HSD11B1SIGMAR1
SCHEMBL7453530 0.92 CCR2 (0.36) DPP8DPP9ENPP2HSD11B1SIGMAR1
SCHEMBL7454227 0.91 DPP8 (0.36) DPP8DPP9ENPP2TGM2MEN1
SCHEMBL7454234 0.91 DPP8 (0.36) DPP8DPP9ENPP2TGM2MEN1
SCHEMBL7453153 0.89 DPP8 (0.35) DPP8DPP9ENPP2HSD11B1SIGMAR1
SCHEMBL7453951 0.89 DPP8 (0.36) DPP8DPP9HSD11B1TGM2MEN1
SCHEMBL7453947 0.89 DPP8 (0.36) DPP8DPP9HSD11B1TGM2MEN1

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