SCHEMBL9596089

SCHEMBL9596089

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TGM2 P21980 1/20 0.38
CTSL P07711 5/20 0.37
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
P2RX7 Q99572 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10699439 0.83 TDP1 (0.39) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL8106414 0.83 DPP8 (0.44) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL9596093 0.82 DPP8 (0.47) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10858260 0.79 DPP8 (0.41) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL8112372 0.79 TGM2 (0.41) DPP8DPP9TGM2CTSLHTR2A
SCHEMBL9521309 0.78 ALDH1A1 (0.39) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL10699226 0.77 ALDH1A1 (0.40) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL10697655 0.76 TDP1 (0.40) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL10698245 0.76 TDP1 (0.42) DPP8DPP9HTR2AALDH1A1MAPT
SCHEMBL9519946 0.76 TDP1 (0.41) HTR2AALDH1A1MAPTHPGDTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed