SCHEMBL7448941

SCHEMBL7448941

CN(C(=O)CN/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.31
CCR5 P51681 3/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
PDE7A Q13946 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL7448944 1.00 DPP8 (0.34) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL7452803 0.95 CCR5 (0.34) DPP8DPP9ALDH1A1CCR5
SCHEMBL7452809 0.95 CCR5 (0.34) DPP8DPP9ALDH1A1CCR5
SCHEMBL7453401 0.86 DPP8 (0.33) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL7453411 0.86 DPP8 (0.35) DPP8DPP9ALDH1A1MAPTMEN1
SCHEMBL7453395 0.86 DPP8 (0.35) DPP8DPP9ALDH1A1MAPTMEN1
SCHEMBL7453675 0.83 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTMEN1
SCHEMBL7453669 0.83 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTMEN1
SCHEMBL7461111 0.83 CCR5 (0.34) DPP8DPP9ALDH1A1CCR5KDM4E
SCHEMBL7461108 0.83 CCR5 (0.34) DPP8DPP9ALDH1A1CCR5KDM4E

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-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed