SCHEMBL8319012

SCHEMBL8319012

CC(C)(C)ON=C1CN(C(=O)OC(C)(C)C)CC1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
ALDH1A1 P00352 4/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL14493183 0.91 NAMPT (0.41) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL5343772 0.91 NAMPT (0.41) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL8325977 0.88 NAMPT (0.42) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL8327697 0.85 NAMPT (0.39) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL8322581 0.83 CHRM2 (0.40) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL8466304 0.82 NAMPT (0.44) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL5341676 0.81 NAMPT (0.44) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL27638307 0.79 KDM4E (0.41) NAMPTKDM4EPKMDRD2KMT2A
SCHEMBL13646937 0.76 HTT (0.46) NAMPTKDM4EPKMDRD2MAPT
SCHEMBL3836086 0.76 HTT (0.46) NAMPTKDM4EPKMDRD2MAPT

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
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