SCHEMBL6166218

SCHEMBL6166218

CCCCOC(=O)ON1CCCC(c2nc(-c3ccc(F)cc3)c[nH]2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 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
SCHEMBL6166739 0.91 CHRM2 (0.37) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6166202 0.86 LMNA (0.40) KDM4ETP53HSD17B10MAPTLMNA
SCHEMBL6166805 0.81 TRPV1 (0.35) KDM4ETP53HSD17B10MAPTLMNA
SCHEMBL6167911 0.80 L3MBTL1 (0.37) KDM4EHSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL6166850 0.79 HRH2 (0.35) KDM4ETP53MAPTL3MBTL1MAPK1
SCHEMBL6167913 0.79 TRPC6 (0.34) MAPTMEN1KMT2APOLBTRPC3
SCHEMBL17396055 0.78 GCK (0.42) KDM4ETP53HSD17B10MAPTLMNA
SCHEMBL6167984 0.78 P2RY12 (0.44)
SCHEMBL6166634 0.76 ALDH1A1 (0.40) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL6169490 0.75 GRM5 (0.45) KDM4EMAPTLMNAALDH1A1MEN1

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