SCHEMBL6166739

SCHEMBL6166739

CCCCOC(=O)ON1CCCC(c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
P2RY12 Q9H244 10/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IGF1R P08069 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6166218 0.91 KDM4E (0.36) CHRM3L3MBTL1KDM4EMAPK1MEN1
SCHEMBL6167911 0.89 L3MBTL1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6167984 0.86 P2RY12 (0.44) P2RY12
SCHEMBL6167867 0.81 CPT1A (0.38) P2RY12L3MBTL1
SCHEMBL6166850 0.81 HRH2 (0.35) L3MBTL1KDM4EMAPK1ATMIGF1R
SCHEMBL6166813 0.80 MIF (0.41) L3MBTL1KDM4EALDH1A1
SCHEMBL6166994 0.80 KDM4E (0.46) P2RY12KDM4EALDH1A1
SCHEMBL6168913 0.80 KDM4E (0.41) P2RY12L3MBTL1KDM4EATMALDH1A1
SCHEMBL6167913 0.79 TRPC6 (0.34) CHRM3MEN1KMT2AHRH3
SCHEMBL6166202 0.78 LMNA (0.40) P2RY12L3MBTL1KDM4EMAPK1MEN1

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