SCHEMBL8327697

SCHEMBL8327697

C#CCON=C1CN(C(=O)OC(C)(C)C)CC1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 2/20 0.36
TSHR P16473 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL8322581 0.90 CHRM2 (0.40) NAMPTCHRM2CHRM1KDM4EPKM
SCHEMBL5343772 0.85 NAMPT (0.41) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL8319012 0.85 NAMPT (0.41) NAMPTCHRM2CHRM1KDM4EPKM
SCHEMBL14493183 0.85 NAMPT (0.41) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL8325977 0.82 NAMPT (0.42) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL8466304 0.81 NAMPT (0.44) NAMPTKDM4EPKMKMT2ADRD2
SCHEMBL5341676 0.76 NAMPT (0.44) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL27638307 0.73 KDM4E (0.41) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL13646937 0.71 HTT (0.46) NAMPTKDM4EPKMMAPTDRD2
SCHEMBL3836086 0.71 HTT (0.46) NAMPTKDM4EPKMMAPTDRD2

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
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-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