SCHEMBL8106414

SCHEMBL8106414

NC(=O)CC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
TGM2 P21980 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CTSL P07711 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9596093 0.92 DPP8 (0.47) DPP8DPP9TGM2TDP1RAB9A
SCHEMBL8113886 0.91 DPP8 (0.44) DPP8DPP9TGM2TDP1RAB9A
SCHEMBL8109280 0.88 DPP8 (0.40) DPP8DPP9TGM2RAB9AALDH1A1
SCHEMBL8113791 0.86 DPP8 (0.41) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL10699439 0.84 TDP1 (0.39) DPP8DPP9TDP1RAB9AALDH1A1
SCHEMBL9596089 0.83 DPP8 (0.39) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL8113765 0.80 DPP8 (0.44) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL10858260 0.80 DPP8 (0.41) DPP8DPP9TDP1RAB9AALDH1A1
SCHEMBL8584249 0.80 DPP8 (0.43) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL7862666 0.80 DPP8 (0.43) DPP8DPP9TGM2TDP1ALDH1A1

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-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed