SCHEMBL8435146

SCHEMBL8435146

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 2/20 0.37
ATM Q13315 1/20 0.37
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8602692 1.00 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL8536719 0.87 CCR5 (0.40) CCR5
SCHEMBL8630088 0.87 CCR5 (0.40) CCR5
SCHEMBL8521252 0.86 MAPT (0.39) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8521254 0.86 MAPT (0.39) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8521258 0.86 MAPT (0.39) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9728223 0.86 DPP8 (0.46) TDP1
SCHEMBL9199817 0.86 TDP1 (0.40) ALDH1A1MAPTHPGDTDP1ATM
Trifluoromethanesulfonic Acid SCHEMBL8537596 0.86 CCR5 (0.39) ALDH1A1CCR5
Trifluoromethanesulfonic Acid SCHEMBL9574325 0.86 CCR5 (0.39) ALDH1A1CCR5

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed