SCHEMBL7454154

SCHEMBL7454154

N=C(N)N(CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CCR5 P51681 7/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CCR2 P41597 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
SCHEMBL7457445 0.87 ALDH1A1 (0.35) ENPP2ALDH1A1CCR5
SCHEMBL7457687 0.87 ENPP2 (0.36) ENPP2SIGMAR1DPP8DPP9
SCHEMBL7462454 0.85 SIGMAR1 (0.41) ENPP2SIGMAR1ALDH1A1LMNACCR5
SCHEMBL7453536 0.85 SIGMAR1 (0.33) ENPP2SIGMAR1ALDH1A1LMNACCR5
SCHEMBL7454239 0.85 CCR5 (0.31) ALDH1A1CCR5DPP8DPP9
SCHEMBL5669278 0.84 SIGMAR1 (0.35) SIGMAR1ALDH1A1LMNACCR5DPP8
SCHEMBL8436720 0.83 HSD11B1 (0.45) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL8441215 0.83 HSD11B1 (0.45) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL8436718 0.83 HSD11B1 (0.45) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL22406792 0.83 HSD11B1 (0.45) SIGMAR1ALDH1A1LMNADPP8DPP9

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