SCHEMBL8444941

SCHEMBL8444941

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TPSAB1 Q15661 4/20 0.36
TPSD1 Q9BZJ3 4/20 0.36
TPSG1 Q9NRR2 4/20 0.36
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CCR5 P51681 2/20 0.32
HTT P42858 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
SCHEMBL8489460 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8448802 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8448807 0.90 DPP8 (0.37) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8444908 0.90 TPSAB1 (0.39) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8447430 0.90 TPSAB1 (0.39) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL7453533 0.87 CCR2 (0.36) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL7453530 0.87 CCR2 (0.36) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL7453675 0.86 ALDH1A1 (0.36) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL7453669 0.86 ALDH1A1 (0.36) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8448820 0.86 GRIN2B (0.34) DPP8DPP9GRIN2BALDH1A1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed