SCHEMBL6943435

SCHEMBL6943435

O=C(NCCCC(=O)N1CCNCC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
HTT P42858 2/20 0.44
TGM2 P21980 1/20 0.44
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.43
CACNA1G O43497 1/20 0.43
LMNA P02545 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL6944079 0.87 DPP8 (0.52) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL6944839 0.83 DPP8 (0.52) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL6943478 0.81 DPP8 (0.61) DPP8DPP9TGM2KCNJ1KCNH2
SCHEMBL6942547 0.81 HTT (0.68) DPP8DPP9HTTTGM2ALDH1A1
SCHEMBL10402368 0.79 HTT (0.56) DPP8DPP9HTTTGM2ALDH1A1
SCHEMBL11289563 0.79 DPP8 (0.55) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL8435707 0.79 DPP8 (0.48) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL3039451 0.79 KCNJ1 (0.53) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL10500161 0.79 DPP8 (0.58) DPP8DPP9HTTTGM2ALDH1A1
SCHEMBL6943983 0.78 DPP8 (0.49) DPP8DPP9TPSAB1TPSD1TPSG1

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