SCHEMBL5368141

SCHEMBL5368141

O=CCCCCCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.62
TBXAS1 P24557 7/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP2A6 P11509 1/20 0.56
CHRNA7 P36544 2/20 0.50
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PTAFR P25105 1/20 0.46

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
SCHEMBL13082197 1.00 HRH1 (0.62) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL5376031 0.98 TDP1 (0.61) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29438514 0.93 CYP2A6 (0.59) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL702110 0.93 CYP2A6 (0.59) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL348856 0.85 CHRNA7 (0.57) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485667 0.85 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485634 0.85 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL3048356 0.85 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL2845851 0.85 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL8658187 0.85 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6

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
US-7253169-B2 Aza compounds, pharmaceutical compositions and methods of use GLIAMED, INC. (US) 2007-08-07 US disclosed