SCHEMBL6946646

SCHEMBL6946646

NC(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
FAP Q12884 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 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
SCHEMBL8988377 0.88 DPP8 (0.48) DPP8DPP9TDP1ALDH1A1DPP4
SCHEMBL8988371 0.87 DPP8 (0.41) DPP8DPP9ALDH1A1DPP4DPP7
SCHEMBL9728223 0.87 DPP8 (0.46) DPP8DPP9TDP1NPBWR1MCHR1
SCHEMBL9040592 0.86 ALDH1A1 (0.41) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9040433 0.86 ALDH1A1 (0.41) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9119637 0.86 DPP8 (0.45) DPP8DPP9ALDH1A1RAB9AMAPT
SCHEMBL8541140 0.85 RAB9A (0.41) DPP8DPP9TDP1ALDH1A1RAB9A
SCHEMBL8438677 0.85 RAB9A (0.41) DPP8DPP9TDP1ALDH1A1RAB9A
SCHEMBL8440385 0.85 DPP8 (0.37) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL8434820 0.84 TDP1 (0.43) DPP8DPP9TDP1ALDH1A1ATM

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