SCHEMBL6166850

SCHEMBL6166850

CCCCOC(=O)ON1CCC(c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)c[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
P2RY14 Q15391 2/20 0.33
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MIF P14174 2/20 0.31
THRB P10828 1/20 0.31
IGF1R P08069 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCHR1 Q99705 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL6167911 0.92 L3MBTL1 (0.37) P2RY14KDM4EIGF1RMAPK1L3MBTL1
SCHEMBL6166813 0.90 MIF (0.41) HRH2HRH1MAPTKDM4EMIF
SCHEMBL6167913 0.88 TRPC6 (0.34) HRH2HRH1P2RY14MAPTBTK
SCHEMBL6165607 0.87 HRH2 (0.45) HRH2HRH1TP53KDM4ESMN1; SMN2
SCHEMBL6168913 0.82 KDM4E (0.41) ATMKDM4EL3MBTL1HTR2B
SCHEMBL6166739 0.81 CHRM2 (0.37) ATMKDM4EIGF1RMAPK1L3MBTL1
SCHEMBL6166218 0.79 KDM4E (0.36) MAPTTP53KDM4EMAPK1SMN1; SMN2
SCHEMBL6166994 0.78 KDM4E (0.46) KDM4E
SCHEMBL6164853 0.76 HTT (0.46) HRH2HRH1MAPTKDM4EMIF
SCHEMBL6168057 0.75 MEN1 (0.41) HRH2HRH1MAPTTP53KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed