SCHEMBL6943983

SCHEMBL6943983

O=C(NCCCC(=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 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
PREP P48147 2/20 0.44
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
TGM2 P21980 1/20 0.38
CACNA1G O43497 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRCP P42785 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6941021 0.90 DPP8 (0.44) DPP8DPP9PREPALDH1A1MAPT
SCHEMBL6941351 0.89 DPP8 (0.44) DPP8DPP9PREPTGM2ALDH1A1
SCHEMBL6943475 0.89 DPP8 (0.44) DPP8DPP9PREPHTTALDH1A1
SCHEMBL6946787 0.87 DPP8 (0.42) DPP8DPP9PREPTPSAB1TPSD1
SCHEMBL6945227 0.86 DPP8 (0.51) DPP8DPP9PREPTPSAB1TPSD1
SCHEMBL6939196 0.85 PREP (0.44) DPP8DPP9PREPTPSAB1TPSD1
SCHEMBL8988371 0.83 DPP8 (0.41) DPP8DPP9HTTALDH1A1MAPT
SCHEMBL9728223 0.83 DPP8 (0.46) DPP8DPP9
SCHEMBL9040433 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL9040592 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2

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