SCHEMBL6167911

SCHEMBL6167911

CCCCOC(=O)ON1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
HTR2B P41595 4/20 0.36
IGF1R P08069 1/20 0.36
P2RY12 Q9H244 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RY14 Q15391 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
EGFR P00533 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
SCHEMBL6166850 0.92 HRH2 (0.35) L3MBTL1HTR2BIGF1RKDM4EMAPK1
SCHEMBL6166813 0.91 MIF (0.41) L3MBTL1GAAHTR2BKDM4EALDH1A1
SCHEMBL6168913 0.90 KDM4E (0.41) L3MBTL1GAAHTR2BP2RY12KDM4E
SCHEMBL6166739 0.89 CHRM2 (0.37) L3MBTL1IGF1RP2RY12KDM4EMAPK1
SCHEMBL6167913 0.89 TRPC6 (0.34) CHRM3P2RY14HRH3
SCHEMBL6166994 0.87 KDM4E (0.46) P2RY12KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6167867 0.83 CPT1A (0.38) L3MBTL1GAAP2RY12
SCHEMBL6167533 0.82 HPGDS (0.41) HTR2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6167984 0.80 P2RY12 (0.44) P2RY12
SCHEMBL6166218 0.80 KDM4E (0.36) L3MBTL1KDM4EMAPK1CHRM3ALDH1A1

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