SCHEMBL8106418

SCHEMBL8106418

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CTSL P07711 5/20 0.36
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL8106387 0.93 DPP8 (0.43) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL8107953 0.85 DPP8 (0.45) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL8107595 0.85 CCR5 (0.36) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL8583297 0.83 DPP8 (0.40) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL7860707 0.83 DPP8 (0.40) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL8106551 0.83 DPP8 (0.40) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL8107635 0.82 TGM2 (0.40) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL9595306 0.82 DPP8 (0.40) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL8108227 0.81 DPP8 (0.38) DPP8DPP9CTSLTGM2ALDH1A1
SCHEMBL7858359 0.81 DPP8 (0.38) DPP8DPP9TGM2ALDH1A1MAPT

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 5 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-1993013100-A1 METHOD FOR PRODUCING BIS-PYRIDINIC DERIVATIVES WITH ACETYLCHOLINESTERASE INHIBITING PROPERTIES BOEHRINGER INGELHEIM ESPAÑA S.A. (ES) 1993-07-08 WO 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