SCHEMBL6167533

SCHEMBL6167533

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.41
HTR2B P41595 4/20 0.39
HTT P42858 2/20 0.37
USP30 Q70CQ3 4/20 0.36
PRMT5 O14744 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
ACACB O00763 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6168199 0.90 HTR2B (0.38) HPGDSHTR2BHTTGPR119KDM4E
SCHEMBL6168913 0.86 KDM4E (0.41) HTR2BPRMT5KDM4EALDH1A1HPGD
SCHEMBL6167211 0.85 HPGDS (0.56) HPGDSHTTUSP30PRMT5GPR119
SCHEMBL2062909 0.83 HPGDS (0.58) HPGDSHTTUSP30PRMT5GPR119
SCHEMBL6167911 0.82 L3MBTL1 (0.37) HTR2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27507420 0.80 HTR2B (0.40) HPGDSHTR2BHTTKDM4EALDH1A1
SCHEMBL6168951 0.78 HTR2B (0.51) HTR2BACACB
SCHEMBL6167825 0.76 ALDH1A1 (0.54) HTR2BHTTPRMT5KDM4EMEN1
SCHEMBL2834170 0.75 HPGDS (0.70) HPGDSHTR2BUSP30PRMT5GPR119
SCHEMBL6167913 0.75 TRPC6 (0.34) MEN1KMT2A

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