SCHEMBL8324880

SCHEMBL8324880

CC(C)(C)ON=C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CHRM2 P08172 2/20 0.58
POLB P06746 2/20 0.58
OPRM1 P35372 2/20 0.58
CHRM1 P11229 1/20 0.58
OPRD1 P41143 1/20 0.58
DRD1 P21728 1/20 0.58
DPP4 P27487 1/20 0.58
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 3/20 0.55
LMNA P02545 2/20 0.55
ABCC4 O15439 1/20 0.55
KCNH2 Q12809 6/20 0.52
HPGD P15428 3/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL8473329 1.00 ALDH1A1 (0.58) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8324721 0.93 CHRM2 (0.60) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8476554 0.93 CHRM2 (0.60) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8325461 0.92 CHRM2 (0.69) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8475393 0.92 CHRM2 (0.69) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8323571 0.90 KCNH2 (0.65) ALDH1A1CHRM2POLBOPRM1DRD1
SCHEMBL8323573 0.90 KCNH2 (0.65) ALDH1A1CHRM2POLBOPRM1DRD1
SCHEMBL8321460 0.86 ALDH1A1 (0.58) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8321462 0.86 ALDH1A1 (0.58) ALDH1A1CHRM2POLBOPRM1CHRM1
SCHEMBL8325563 0.84 CHRM2 (0.60) ALDH1A1CHRM2DRD1DPP4KDM4E

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