SCHEMBL8449023

SCHEMBL8449023

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
F2 P00734 3/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
GRIN2B Q13224 2/20 0.33
KMT2A Q03164 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
SCHEMBL8445887 0.90 TPSAB1 (0.40) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8444889 0.90 TPSAB1 (0.40) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8447417 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8444908 0.85 TPSAB1 (0.39) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8447430 0.85 TPSAB1 (0.39) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8444941 0.84 DPP8 (0.37) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL8447419 0.83 SIGMAR1 (0.39) DPP8DPP9
SCHEMBL8447421 0.83 SIGMAR1 (0.39) DPP8DPP9
SCHEMBL8444892 0.82 CCR5 (0.40)
SCHEMBL8449288 0.82 CCR5 (0.35) TPSAB1TPSD1TPSG1F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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