SCHEMBL12849795

SCHEMBL12849795

CC1C2=C(C=CCC2)N(C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 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
SCHEMBL31067335 0.70 BRPF1 (0.33) HTR2AHTR2CHRH1ADRA2AADRA2B
SCHEMBL1996858 0.70 BRPF1 (0.33) HTR2AHTR2CHRH1ADRA2AADRA2B
SCHEMBL9578742 0.70
SCHEMBL29925103 0.70 HDAC4 (0.50) ACHEHTR2AHTR2CHRH1ADRA2A
SCHEMBL1105797 0.70 HDAC4 (0.50) ACHEHTR2AHTR2CHRH1ADRA2A
SCHEMBL22879391 0.70 ACHE (0.37) ACHEHTR2AHTR2CHRH1ADRA2A
Iodide SCHEMBL28367716 0.68 HDAC4 (0.48) ACHEHTR2AHTR2CHRH1ADRA2A
SCHEMBL14422967 0.68 DRD2 (0.31)
SCHEMBL22044322 0.66 DRD1 (0.34) HTR2AHTR2CHRH1ADRA2AADRA2B
SCHEMBL25835838 0.66 SETD7 (0.37) HTR2AHTR2CHRH1ADRA2AADRA2B

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
WO-2011031330-A1 AUTOPHAGY AND PHOSPHOLIPIDOSIS PATHWAY ASSAYS ENZO LIFE SCIENCES, INC. (US) 2011-03-17 WO disclosed