SCHEMBL7453153

SCHEMBL7453153

O=C(CC(O)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 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HSD11B1 P28845 1/20 0.34
SIGMAR1 Q99720 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 2/20 0.31
CCR2 P41597 2/20 0.30
EPHX2 P34913 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
SCHEMBL7453157 1.00 DPP8 (0.35) DPP8DPP9HSD11B1SIGMAR1MEN1
SCHEMBL7453949 0.95 DPP8 (0.35) DPP8DPP9MEN1ALDH1A1MAPT
SCHEMBL7453944 0.95 DPP8 (0.35) DPP8DPP9MEN1ALDH1A1MAPT
SCHEMBL7453533 0.91 CCR2 (0.36) DPP8DPP9HSD11B1SIGMAR1MEN1
SCHEMBL7453530 0.91 CCR2 (0.36) DPP8DPP9HSD11B1SIGMAR1MEN1
SCHEMBL7457654 0.91 DPP8 (0.40) DPP8DPP9HSD11B1SIGMAR1KMT2A
SCHEMBL7457680 0.89 DPP8 (0.38) DPP8DPP9HSD11B1SIGMAR1MEN1
SCHEMBL7457683 0.89 DPP8 (0.38) DPP8DPP9HSD11B1SIGMAR1MEN1
SCHEMBL7453951 0.88 DPP8 (0.36) DPP8DPP9HSD11B1MEN1ALDH1A1
SCHEMBL7453947 0.88 DPP8 (0.36) DPP8DPP9HSD11B1MEN1ALDH1A1

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