SCHEMBL8324766

SCHEMBL8324766

COc1c(N2CC(=NOCc3ccccc3)C(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
CHRM2 P08172 1/20 0.56
DRD1 P21728 1/20 0.56
DPP4 P27487 1/20 0.56
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
OPRM1 P35372 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
GSK3B P49841 2/20 0.54
ABCC4 O15439 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL8324761 1.00 KCNH2 (0.62) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8328308 0.93 CHRM2 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8328305 0.93 CHRM2 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8321462 0.90 ALDH1A1 (0.58) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8321460 0.90 ALDH1A1 (0.58) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8323573 0.87 KCNH2 (0.65) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8323571 0.87 KCNH2 (0.65) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8319838 0.83 CHRM2 (0.56) CHRM2DRD1DPP4KDM4EALDH1A1
SCHEMBL8318633 0.83 KDM4E (0.52) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8318631 0.83 KDM4E (0.52) KCNH2CHRM2DRD1DPP4KDM4E

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 8 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-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