SCHEMBL7457654

SCHEMBL7457654

O=C(CC(O)CNC(=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 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 2/20 0.35
CCR2 P41597 2/20 0.33
ENPP2 Q13822 2/20 0.33
KMT2A Q03164 1/20 0.33
TGM2 P21980 1/20 0.32
EPHX2 P34913 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
SCHEMBL7453153 0.91 DPP8 (0.35) DPP8DPP9HSD11B1SIGMAR1CCR2
SCHEMBL7453157 0.91 DPP8 (0.35) DPP8DPP9HSD11B1SIGMAR1CCR2
SCHEMBL8441215 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL28804784 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL22406792 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL8436718 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL28804781 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL8436720 0.88 HSD11B1 (0.45) DPP8DPP9HSD11B1SIGMAR1EPHX2
SCHEMBL7463311 0.86 ALDH1A1 (0.38) DPP8DPP9HSD11B1
SCHEMBL8095171 0.85 REN (0.37) DPP8DPP9HSD11B1SIGMAR1

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