SCHEMBL8323555

SCHEMBL8323555

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1CN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.73
CHRM2 P08172 1/20 0.73
DRD1 P21728 1/20 0.73
LMNA P02545 5/20 0.68
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 3/20 0.68
ABCC4 O15439 1/20 0.68
EPHA2 P29317 1/20 0.63
FLT4 P35916 1/20 0.63
GSK3B P49841 1/20 0.63
RARB P10826 1/20 0.63
TBXAS1 P24557 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
XBP1 P17861 1/20 0.60
NFKB1 P19838 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL8323559 1.00 DPP4 (0.73) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8326347 0.92 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8326343 0.92 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin SCHEMBL5657605 0.90 DPP4 (0.77) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8324010 0.89 KMT2A (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8324007 0.89 KMT2A (0.59) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1950144 0.84 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1444728 0.84 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL3252334 0.84 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL136634 0.84 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E

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-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-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