SCHEMBL8322827

SCHEMBL8322827

CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1CN

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
DRD1 P21728 1/20 0.60
DPP4 P27487 1/20 0.60
KCNH2 Q12809 2/20 0.60
CACNA1F O60840 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
CACNA1D Q01668 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ABCC4 O15439 1/20 0.57
LMNA P02545 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GSK3B P49841 14/20 0.51
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8322830 1.00 CHRM2 (0.60) CHRM2DRD1DPP4KCNH2CACNA1F
SCHEMBL8326670 0.88 CACNA1F (0.55) CHRM2DRD1DPP4KCNH2CACNA1F
SCHEMBL8326675 0.88 CACNA1F (0.55) CHRM2DRD1DPP4KCNH2CACNA1F
Gemifloxacin SCHEMBL6252041 0.84 DPP4 (0.75) CHRM2DRD1DPP4KCNH2CACNA1F
SCHEMBL8325461 0.81 CHRM2 (0.69) CHRM2DRD1DPP4KCNH2POLB
SCHEMBL8475393 0.81 CHRM2 (0.69) CHRM2DRD1DPP4KCNH2POLB
SCHEMBL9425319 0.81 CACNA1F (0.61) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9425327 0.81 CACNA1F (0.61) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9425712 0.81 CACNA1F (0.64) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL5261839 0.80 KCNH2 (0.56) CHRM2DRD1DPP4KCNH2CACNA1F

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-5869670-A BACTERICIDES LG CHEMICAL LTD. (KR) 1999-02-09 US disclosed
US-5840916-A INTERMEDIATE FOR QUINOLONE ANTIBIOTICS; 4-AMINOMETHYL-3-METHOXYIMINOPYRROLIDINE LG CHEMICAL LTD. (KR) 1998-11-24 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