SCHEMBL8106599

SCHEMBL8106599

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
TGM2 P21980 1/20 0.36
BMP1 P13497 1/20 0.36
CTSL P07711 5/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.34
CCR5 P51681 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 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 0.93 DPP8 (0.40) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL8109280 0.87 DPP8 (0.40) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL8106773 0.85 DPP8 (0.41) DPP8DPP9TGM2BMP1CTSL
SCHEMBL8106387 0.83 DPP8 (0.43) DPP8DPP9TGM2BMP1CTSL
SCHEMBL9595372 0.82 DPP8 (0.42) DPP8DPP9TGM2BMP1ALDH1A1
SCHEMBL10703870 0.82 DPP8 (0.38) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL9519366 0.81 DPP8 (0.42) DPP8DPP9TGM2BMP1ALDH1A1
SCHEMBL9399996 0.80 DPP8 (0.36) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL8113765 0.80 DPP8 (0.44) DPP8DPP9TGM2BMP1CTSL
SCHEMBL9795072 0.79 CCR5 (0.36) DPP8DPP9CTSLALDH1A1MAPT

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