SCHEMBL15869718

SCHEMBL15869718

CCCc1cccn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
HTR2A P28223 2/20 0.38
NUDT1 P36639 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRA2A P08913 2/20 0.35
GRM5 P41594 1/20 0.35
PDE10A Q9Y233 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HTR1A P08908 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL7370161 0.88 LIPG (0.40) HTR2ANUDT1L3MBTL1KCNH2
SCHEMBL3314980 0.85 NUDT1 (0.41) HCRTR2HTR2ANUDT1L3MBTL1HTR2C
SCHEMBL23343780 0.82 HTR2A (0.41) HCRTR2HTR2ANUDT1L3MBTL1HTR2C
SCHEMBL9111359 0.79 NUDT1 (0.42) HTR2ANUDT1L3MBTL1HTR2CKCNH2
SCHEMBL10918746 0.79 ATP4A (0.48) HTR2ANUDT1L3MBTL1HTR1A
SCHEMBL2315461 0.78 NUDT1 (0.41) HCRTR2HTR2ANUDT1L3MBTL1HTR2C
SCHEMBL325061 0.78 NUDT1 (0.45) HTR2ANUDT1HTR2CKCNH2
SCHEMBL325060 0.78 NUDT1 (0.41) HTR2ANUDT1L3MBTL1HTR2CKCNH2
SCHEMBL5308911 0.78 NUDT1 (0.41) HTR2ANUDT1L3MBTL1HTR2CKCNH2
SCHEMBL9934928 0.78 NUDT1 (0.41) HCRTR2HTR2ANUDT1L3MBTL1PDE10A

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-8778964-B2 Hydroxy-substituted imidazo[1,2-a]-pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-07-15 US disclosed