SCHEMBL7455307

SCHEMBL7455307

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](CNC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
TPSAB1 Q15661 5/20 0.42
TPSD1 Q9BZJ3 5/20 0.42
TPSG1 Q9NRR2 5/20 0.42
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
HTR2A P28223 2/20 0.38
HTR4 Q13639 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 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
SCHEMBL7455314 1.00 DPP8 (0.43) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8447417 0.90 TPSAB1 (0.39) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8448807 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8489460 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8448802 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8447158 0.89 TPSAB1 (0.39) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8435987 0.86 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1MAPT
SCHEMBL8435984 0.86 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1MAPT
SCHEMBL7453992 0.84 GAA (0.42) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL7453985 0.84 GAA (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900797-B1 A 1-METHYLCARBAPENEM DERIVATIVE SANKYO CO (JP) 2002-08-21 EP disclosed
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed