SCHEMBL5014657

SCHEMBL5014657

CNCc1cc(C)c(CC(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.35
HTR2A P28223 5/20 0.35
KCNH2 Q12809 4/20 0.35
ALDH1A1 P00352 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5015048 0.87 SLC6A4 (0.36) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL1251782 0.80 SLC6A4 (0.43) SLC6A4HTR2AKCNH2ALDH1A1SLC6A2
SCHEMBL5022876 0.74 ALDH1A1 (0.39) ALDH1A1GABRA1GABRB2
SCHEMBL6572888 0.72 ALDH1A1 (0.61) ALDH1A1GABRA1GABRB2GAA
SCHEMBL22863402 0.72 GABRA1 (0.34) ALDH1A1GABRA1GABRB2
SCHEMBL23387413 0.72 GABRA1 (0.52) ALDH1A1GABRA1GABRB2GAAMAPT
SCHEMBL10019203 0.72 LMNA (0.39) ALDH1A1GABRA1GABRB2GAA
SCHEMBL15382005 0.72 GABRA1 (0.48) SLC6A4HTR2AKCNH2ALDH1A1GABRA1
SCHEMBL2683313 0.72 CYP1A2 (0.37) ALDH1A1GABRA1GABRB2
SCHEMBL14036804 0.72 MEN1 (0.34) ALDH1A1GABRA1GABRB2MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed