SCHEMBL7454249

SCHEMBL7454249

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.45
SIGMAR1 Q99720 2/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL7457935 0.86 CCR2 (0.37) CCR2SIGMAR1DPP8DPP9
SCHEMBL7453875 0.84 CCR2 (0.35) CCR2SIGMAR1DPP8DPP9
SCHEMBL7458615 0.83 CCR2 (0.41) CCR2SIGMAR1DPP8DPP9
SCHEMBL8439868 0.82 EPHX1 (0.45) CCR2SIGMAR1DPP8DPP9
SCHEMBL8438723 0.82 EPHX1 (0.45) CCR2SIGMAR1DPP8DPP9
SCHEMBL7457727 0.80 CCR5 (0.35) CCR2SIGMAR1DPP8DPP9
SCHEMBL7457947 0.80 CCR5 (0.35) CCR2SIGMAR1DPP8DPP9
SCHEMBL7455832 0.80 CCR2 (0.36) CCR2SIGMAR1
SCHEMBL7462425 0.80 ALDH1A1 (0.33) CCR2SIGMAR1DPP8DPP9
SCHEMBL7463906 0.79 ALDH1A1 (0.33) CCR2SIGMAR1DPP8DPP9

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 2 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
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed