SCHEMBL8323849

SCHEMBL8323849

CON=C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.72
DRD1 P21728 1/20 0.72
DPP4 P27487 1/20 0.72
KDM4E B2RXH2 4/20 0.67
LMNA P02545 3/20 0.67
HSD17B10 Q99714 3/20 0.67
ABCC4 O15439 1/20 0.67
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.56
TOP2A P11388 1/20 0.56
CYP2C9 P11712 1/20 0.56
TOP2B Q02880 1/20 0.56
PIK3CG P48736 5/20 0.51
PIK3CD O00329 3/20 0.51
PIK3R1 P27986 3/20 0.51
PIK3CA P42336 3/20 0.51
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL8323845 1.00 CHRM2 (0.72) CHRM2DRD1DPP4KDM4ELMNA
SCHEMBL8325563 0.91 CHRM2 (0.60) CHRM2DRD1DPP4KDM4ELMNA
SCHEMBL8325560 0.91 CHRM2 (0.60) CHRM2DRD1DPP4KDM4ELMNA
SCHEMBL12665497 0.88 CHRM2 (0.57) CHRM2DRD1DPP4KDM4ELMNA
SCHEMBL8319838 0.87 CHRM2 (0.56) CHRM2DRD1DPP4KDM4ELMNA
SCHEMBL8319840 0.87 CHRM2 (0.56) CHRM2DRD1DPP4KDM4ELMNA
Gemifloxacin SCHEMBL5656549 0.86 DPP4 (0.80) CHRM2DRD1DPP4KDM4ELMNA
Gemifloxacin SCHEMBL136634 0.84 DPP4 (1.00) CHRM2DRD1DPP4KDM4ELMNA
Gemifloxacin SCHEMBL1950144 0.84 DPP4 (1.00) CHRM2DRD1DPP4KDM4ELMNA
Gemifloxacin SCHEMBL1444728 0.84 DPP4 (1.00) CHRM2DRD1DPP4KDM4ELMNA

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