SCHEMBL7449752

SCHEMBL7449752

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CCR5 P51681 5/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 1/20 0.31
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ANPEP P15144 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
SCHEMBL7457491 1.00 DPP8 (0.32) DPP8DPP9CCR5MMP2MMP9
SCHEMBL8105057 1.00 DPP8 (0.32) DPP8DPP9CCR5MMP2MMP9
SCHEMBL7451816 0.95 DPP8 (0.32) DPP8DPP9CCR5MMP2MMP9
SCHEMBL7458137 0.95 DPP8 (0.32) DPP8DPP9CCR5MMP2MMP9
SCHEMBL7559273 0.87 GAA (0.33) MMP2ALDH1A1MAPT
SCHEMBL7458133 0.87 GAA (0.33) MMP2ALDH1A1MAPT
SCHEMBL7453403 0.86 CCR5 (0.32) DPP8DPP9CCR5NPC1RAB9A
SCHEMBL9574341 0.85 DPP8 (0.35) DPP8DPP9MMP2ALDH1A1MAPT
SCHEMBL9574214 0.85 DPP8 (0.35) DPP8DPP9MMP2ALDH1A1MAPT
SCHEMBL7460727 0.85 DPP8 (0.37) DPP8DPP9CCR5HTR2AALDH1A1

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