SCHEMBL6166805

SCHEMBL6166805

CCCCOC(=O)ON1CCCCC1c1nc(-c2ccc(F)cc2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CPT1A P50416 2/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1F P30939 1/20 0.33
SCN9A Q15858 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KCNQ1 P51787 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
SCHEMBL6167867 0.91 CPT1A (0.38) L3MBTL1CPT1ACPT2
SCHEMBL6166634 0.85 ALDH1A1 (0.40) TRPV1ALDH1A1HPGDL3MBTL1CPT1A
SCHEMBL17396055 0.83 GCK (0.42) TRPV1ALDH1A1HPGDL3MBTL1CPT1A
SCHEMBL6166218 0.81 KDM4E (0.36) ALDH1A1HPGDL3MBTL1LMNAMAPT
SCHEMBL6166202 0.76 LMNA (0.40) ALDH1A1HPGDL3MBTL1LMNAMAPT
SCHEMBL6169344 0.76 DAGLA (0.41) ALDH1A1CPT1AMAPK1CPT2
SCHEMBL6167911 0.73 L3MBTL1 (0.37) ALDH1A1HPGDL3MBTL1KDM4EHSD17B10
SCHEMBL6169351 0.73 TRPV1 (0.43) TRPV1ALDH1A1HPGDCPT1ALMNA
SCHEMBL6166850 0.73 HRH2 (0.35) L3MBTL1MAPTNPC1RAB9AKDM4E
SCHEMBL6166739 0.73 CHRM2 (0.37) ALDH1A1L3MBTL1KDM4EMAPK1

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