SCHEMBL6168913

SCHEMBL6168913

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2B P41595 7/20 0.39
P2RY12 Q9H244 2/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PRMT5 O14744 1/20 0.37
GAA P10253 1/20 0.36
CACNA1D Q01668 1/20 0.36

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 0.90 L3MBTL1 (0.37) KDM4EALDH1A1HPGDHSD17B10HTR2B
SCHEMBL6167825 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10HTR2B
SCHEMBL6167533 0.86 HPGDS (0.41) KDM4EALDH1A1HPGDHSD17B10HTR2B
SCHEMBL6166850 0.82 HRH2 (0.35) KDM4EHTR2BATML3MBTL1
SCHEMBL2834139 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10HTR2B
SCHEMBL6166813 0.81 MIF (0.41) KDM4EALDH1A1HPGDHTR2BL3MBTL1
SCHEMBL6166739 0.80 CHRM2 (0.37) KDM4EALDH1A1P2RY12ATML3MBTL1
SCHEMBL6167913 0.79 TRPC6 (0.34)
SCHEMBL6166994 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10P2RY12
SCHEMBL6168951 0.78 HTR2B (0.51) HTR2B

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