SCHEMBL7460727

SCHEMBL7460727

C[C@@H](C(=O)NC1CN(C(=O)O)C1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CCR5 P51681 9/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CTSL P07711 2/20 0.35

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
SCHEMBL7460549 1.00 DPP8 (0.37) DPP8DPP9CCR5TDP1HTR2A
SCHEMBL7454118 0.94 CCR5 (0.37) DPP8DPP9CCR5ALDH1A1
SCHEMBL7449048 0.94 CCR5 (0.37) DPP8DPP9CCR5ALDH1A1
SCHEMBL7458556 0.86 CCR5 (0.33) DPP8DPP9CCR5TDP1HTR2A
SCHEMBL8105057 0.85 DPP8 (0.32) DPP8DPP9CCR5HTR2AALDH1A1
SCHEMBL7457491 0.85 DPP8 (0.32) DPP8DPP9CCR5HTR2AALDH1A1
SCHEMBL7449752 0.85 DPP8 (0.32) DPP8DPP9CCR5HTR2AALDH1A1
SCHEMBL7456405 0.83 TDP1 (0.37) DPP8DPP9CCR5TDP1ATM
SCHEMBL7457727 0.82 CCR5 (0.35) DPP8DPP9CCR5
SCHEMBL7457947 0.82 CCR5 (0.35) DPP8DPP9CCR5

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