SCHEMBL8476554

SCHEMBL8476554

CC(C)(C)O/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1CN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.60
DRD1 P21728 1/20 0.60
DPP4 P27487 1/20 0.60
KDM4E B2RXH2 4/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 2/20 0.57
ABCC4 O15439 1/20 0.57
KCNH2 Q12809 5/20 0.54
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
OPRM1 P35372 2/20 0.48
CHRM1 P11229 1/20 0.48
OPRD1 P41143 1/20 0.48
TOP2A P11388 5/20 0.48
TOP2B Q02880 5/20 0.48
HPGD P15428 3/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL8324721 1.00 CHRM2 (0.60) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8324880 0.93 ALDH1A1 (0.58) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8473329 0.93 ALDH1A1 (0.58) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8323573 0.92 KCNH2 (0.65) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8323571 0.92 KCNH2 (0.65) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8320856 0.88 KDM4E (0.55) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8320861 0.88 KDM4E (0.55) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8328308 0.86 CHRM2 (0.57) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8328305 0.86 CHRM2 (0.57) CHRM2DRD1DPP4KDM4EHSD17B10
SCHEMBL8325560 0.86 CHRM2 (0.60) CHRM2DRD1DPP4KDM4EHSD17B10

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 5 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
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