SCHEMBL8106790

SCHEMBL8106790

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.43
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CTSL P07711 6/20 0.36
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR5 P51681 2/20 0.33
HTR2A P28223 1/20 0.33
P2RX7 Q99572 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL8107635 0.88 TGM2 (0.40) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL8113864 0.84 GAA (0.38) TGM2DPP8DPP9CTSLHTR2A
SCHEMBL8106793 0.83 TGM2 (0.43) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL8107539 0.81 TGM2 (0.37) TGM2DPP8DPP9CTSL
SCHEMBL8106414 0.79 DPP8 (0.44) TGM2DPP8DPP9CTSLTDP1
SCHEMBL8113791 0.78 DPP8 (0.41) TGM2DPP8DPP9CTSLTDP1
SCHEMBL7862666 0.76 DPP8 (0.43) TGM2DPP8DPP9TDP1
SCHEMBL8584249 0.76 DPP8 (0.43) TGM2DPP8DPP9TDP1
SCHEMBL8112376 0.76 CCR5 (0.36) CCR5HTR2A
SCHEMBL9596093 0.75 DPP8 (0.47) TGM2DPP8DPP9TDP1

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