SCHEMBL8326675

SCHEMBL8326675

NCC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1=NOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
KCNH2 Q12809 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
GSK3B P49841 15/20 0.52
CHRM2 P08172 1/20 0.48
DRD1 P21728 1/20 0.48
DPP4 P27487 1/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8326670 1.00 CACNA1F (0.55) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8322827 0.88 CHRM2 (0.60) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8322830 0.88 CHRM2 (0.60) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8328308 0.87 CHRM2 (0.57) POLBKCNH2GSK3BCHRM2DRD1
SCHEMBL8328305 0.87 CHRM2 (0.57) POLBKCNH2GSK3BCHRM2DRD1
SCHEMBL8324761 0.83 KCNH2 (0.62) POLBKCNH2GSK3BCHRM2DRD1
SCHEMBL8324766 0.83 KCNH2 (0.62) POLBKCNH2GSK3BCHRM2DRD1
SCHEMBL8321462 0.82 ALDH1A1 (0.58) POLBKCNH2GSK3BCHRM2DRD1
SCHEMBL8321460 0.82 ALDH1A1 (0.58) POLBKCNH2GSK3BCHRM2DRD1
Hydrochloric Acid SCHEMBL6722635 0.82 CACNA1F (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2

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 6 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-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