SCHEMBL8444872

SCHEMBL8444872

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NR1D1 P20393 2/20 0.35
HPGD P15428 1/20 0.34
CCR5 P51681 4/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NR1H3 Q13133 1/20 0.33
NR1D2 Q14995 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8449100 1.00 ALDH1A1 (0.35) ALDH1A1MAPTGAANR1D1HPGD
SCHEMBL8449288 0.91 CCR5 (0.35) ALDH1A1MAPTGAANR1D1HPGD
SCHEMBL8448979 0.89 CCR5 (0.37) ALDH1A1MAPTNR1D1HPGDCCR5
SCHEMBL8447364 0.89 CCR5 (0.37) ALDH1A1MAPTNR1D1HPGDCCR5
SCHEMBL8447158 0.86 TPSAB1 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8440242 0.84 ALDH1A1 (0.37) ALDH1A1MAPTGAAHPGDDPP8
SCHEMBL8439764 0.83 EPHX2 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8447418 0.83 DPP8 (0.34) ALDH1A1MAPTNR1D1HPGDCCR5
SCHEMBL8447416 0.83 DPP8 (0.34) ALDH1A1MAPTNR1D1HPGDCCR5
SCHEMBL8447417 0.82 TPSAB1 (0.39) ALDH1A1MAPTGAADPP8DPP9

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