SCHEMBL6945227

SCHEMBL6945227

O=C(NCC[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
P2RX7 Q99572 1/20 0.37
TGM2 P21980 1/20 0.36
PREP P48147 2/20 0.35
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6943983 0.86 DPP8 (0.49) DPP8DPP9TGM2PREPTPSAB1
SCHEMBL6941021 0.86 DPP8 (0.44) DPP8DPP9PREPALDH1A1MAPT
SCHEMBL6944285 0.85 DPP8 (0.45) DPP8DPP9P2RX7TGM2PREP
SCHEMBL6941351 0.85 DPP8 (0.44) DPP8DPP9TGM2PREPALDH1A1
SCHEMBL6943475 0.85 DPP8 (0.44) DPP8DPP9PREPALDH1A1MAPT
SCHEMBL6946646 0.83 DPP8 (0.45) DPP8DPP9NPBWR1MCHR1ALDH1A1
SCHEMBL6946787 0.83 DPP8 (0.42) DPP8DPP9PREPTPSAB1TPSD1
SCHEMBL9728223 0.82 DPP8 (0.46) DPP8DPP9NPBWR1MCHR1TDP1
SCHEMBL8440385 0.82 DPP8 (0.37) DPP8DPP9ALDH1A1MAPTTDP1
SCHEMBL9040592 0.82 ALDH1A1 (0.41) NPBWR1MCHR1ALDH1A1MAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed