SCHEMBL6943475

SCHEMBL6943475

O=C(NCCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
PREP P48147 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL6943983 0.89 DPP8 (0.49) DPP8DPP9KMT2AALDH1A1MAPT
SCHEMBL6941021 0.88 DPP8 (0.44) DPP8DPP9KMT2AALDH1A1MAPT
SCHEMBL6941351 0.87 DPP8 (0.44) DPP8DPP9KMT2AALDH1A1MAPT
SCHEMBL6942902 0.85 DPP8 (0.39) DPP8DPP9KMT2ARECQLPREP
SCHEMBL6946787 0.85 DPP8 (0.42) DPP8DPP9KMT2ARECQLPREP
SCHEMBL6945227 0.85 DPP8 (0.51) DPP8DPP9ALDH1A1MAPTPREP
SCHEMBL6945021 0.84 DPP8 (0.40) DPP8DPP9ALDH1A1MAPTKDM4E
SCHEMBL9728223 0.82 DPP8 (0.46) DPP8DPP9
SCHEMBL8438227 0.81 DPP8 (0.42) DPP8DPP9ALDH1A1MAPT
SCHEMBL9040433 0.81 ALDH1A1 (0.41) KMT2AALDH1A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed