SCHEMBL8438569

SCHEMBL8438569

N=C(N)N(C(=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 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL8437869 0.94 CCR5 (0.38) CCR5ALDH1A1
SCHEMBL8440492 0.94 CCR5 (0.38) CCR5ALDH1A1
SCHEMBL8521853 0.93 CCR5 (0.39) CCR5ALDH1A1
SCHEMBL8439011 0.89 ATM (0.38) CCR5TDP1ALDH1A1MAPTRAB9A
SCHEMBL8435146 0.85 ALDH1A1 (0.39) CCR5TDP1ALDH1A1MAPTATM
SCHEMBL8602692 0.85 ALDH1A1 (0.39) CCR5TDP1ALDH1A1MAPTATM
SCHEMBL7457623 0.84 CCR5 (0.36) CCR5ALDH1A1DPP8DPP9
SCHEMBL8440761 0.83 CCR5 (0.39) CCR5ALDH1A1
SCHEMBL8436096 0.83 CCR5 (0.39) CCR5ALDH1A1
SCHEMBL8440362 0.82 MCHR1 (0.38) CCR5ALDH1A1MAPTHPGDKMT2A

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