SCHEMBL8325947

SCHEMBL8325947

NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.78
CHRM2 P08172 2/20 0.78
DRD1 P21728 1/20 0.78
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
ABCC4 O15439 1/20 0.73
HSD17B10 Q99714 1/20 0.73
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.43
GSK3B P49841 2/20 0.41
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL8325948 1.00 DPP4 (0.78) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL2419850 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL136633 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL13414391 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL1444728 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL3252334 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL1950144 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL29662144 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL136634 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL6930951 0.88 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962468-A ANTIBACTERIAL ACTIVITY LG CHEMICAL LTD. (KR) 1999-10-05 US disclosed
EP-0688772-B1 Quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG CHEMICAL LTD (KR) 1999-05-06 EP disclosed
US-5840916-A INTERMEDIATE FOR QUINOLONE ANTIBIOTICS; 4-AMINOMETHYL-3-METHOXYIMINOPYRROLIDINE LG CHEMICAL LTD. (KR) 1998-11-24 US disclosed
US-5776944-A 7-(4-aminomethyl-3-methyloxyiminopyrroplidin-1-yl)-1-cyclopropyl-6-flu oro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid and the process for the preparation thereof LG CHEMICAL LTD. (KR) 1998-07-07 US disclosed
US-5698570-A QUINOLONE ANTIBIOTIC; BACTERICIDES LG CHEMICAL LTD. (KR) 1997-12-16 US disclosed
US-5633262-A BACTERICIDES LG CHEMICAL LTD. (KR) 1997-05-27 US disclosed
EP-0688772-A1 Novel quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG Chemical Limited (KR) 1995-12-27 EP disclosed