SCHEMBL8109280

SCHEMBL8109280

CS(=O)(=O)O[C@@H]1C[C@@H](C(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)CC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 2/20 0.35
CTSL P07711 5/20 0.35
TGM2 P21980 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 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
SCHEMBL8106551 0.92 DPP8 (0.40) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL8106414 0.88 DPP8 (0.44) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL8106599 0.87 DPP8 (0.42) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL8113886 0.86 DPP8 (0.44) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL9596048 0.83 DPP8 (0.40) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL10703870 0.82 DPP8 (0.38) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL9519215 0.81 ALDH1A1 (0.37) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9596622 0.81 DPP8 (0.40) DPP8DPP9ALDH1A1CTSLTGM2
SCHEMBL8112463 0.81 ABCB1 (0.39) DPP8DPP9ALDH1A1CTSLMAPT
SCHEMBL9596093 0.80 DPP8 (0.47) DPP8DPP9ALDH1A1TGM2MAPT

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-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
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed