SCHEMBL6479138

SCHEMBL6479138

CCCCCc1c[c]no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 4/20 0.31
CYP3A4 P08684 2/20 0.31
CHRM2 P08172 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL7171788 0.98 PPARA (0.39) PPARAKCNH2MAPTPTGS2CYP3A4
SCHEMBL27745207 0.72
SCHEMBL5546235 0.65 MAPT (0.33) PPARAKCNH2MAPTPTGS2CYP3A4
SCHEMBL3242083 0.65 MAPT (0.39) KCNH2MAPTTDP1L3MBTL1PTGS2
SCHEMBL5175178 0.65 CYP1A2 (0.42) PPARAKCNH2MAPTTDP1L3MBTL1
SCHEMBL3394938 0.64 EPHX2 (0.54) KCNH2MAPTPTGS2CYP3A4CHRM2
SCHEMBL5545188 0.64 MAPT (0.35) PPARAKCNH2MAPTPTGS2CYP3A4
SCHEMBL369102 0.64 PPARA (0.71) PPARAKCNH2MAPTPTGS2CYP3A4
SCHEMBL263464 0.64 MAPT (0.41) KCNH2MAPTPTGS2CYP3A4CHRM2
SCHEMBL22129744 0.64 MAPT (0.41) KCNH2MAPTPTGS2CYP3A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897198-B2 Method of treatment with combinations of statin and aryl-substituted propanolamine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH 2005-05-24 US disclosed
US-6569835-B2 Hypolipidemics; treating obesity and disorders of lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-27 US disclosed
US-6566340-B2 Antilipemic agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
US-6303639-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDEMIA, ARTERIOSCLEROTIC SYMPTOMS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-10-16 US disclosed
US-6245744-B1 ANTILIPEMIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-12 US disclosed