SCHEMBL7457935

SCHEMBL7457935

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CC(=O)N[C@H]1CCN(OC(=O)C(F)(F)F)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CCR5 P51681 6/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7462425 0.95 ALDH1A1 (0.33) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL7453875 0.91 CCR2 (0.35) CCR2SIGMAR1DPP8DPP9CCR5
SCHEMBL7455832 0.90 CCR2 (0.36) CCR2SIGMAR1CCR5ALDH1A1
SCHEMBL7463906 0.87 ALDH1A1 (0.33) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL7454249 0.86 CCR2 (0.45) CCR2SIGMAR1DPP8DPP9
SCHEMBL7456796 0.86 POLB (0.34) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL7456013 0.85 SIGMAR1 (0.40) CCR2SIGMAR1DPP8DPP9CCR5
SCHEMBL7457947 0.85 CCR5 (0.35) CCR2SIGMAR1DPP8DPP9CCR5
SCHEMBL7457727 0.85 CCR5 (0.35) CCR2SIGMAR1DPP8DPP9CCR5
SCHEMBL7454533 0.84 PLCG1 (0.33) CCR2SIGMAR1CCR5ALDH1A1L3MBTL1

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