SCHEMBL8098745

SCHEMBL8098745

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
CCR5 P51681 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
HTT P42858 1/20 0.34
TGM2 P21980 1/20 0.34
ABCB1 P08183 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
SCHEMBL9519170 0.89 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8106983 0.88 ALDH1A1 (0.37) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8106682 0.88 ALDH1A1 (0.37) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8112276 0.85 CCR5 (0.39) ALDH1A1MAPTGAAATMHPGD
SCHEMBL7859871 0.85 DPP8 (0.40) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8113812 0.83 HTT (0.39) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL10390679 0.83 GAA (0.45) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8112316 0.83 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL7859712 0.83 DPP8 (0.39) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9595921 0.83 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA

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