SCHEMBL21477136

SCHEMBL21477136

COCCCCOCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
SLC6A2 P23975 2/20 0.45
HRH1 P35367 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
CHRM4 P08173 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20325116 0.98 HRH3 (0.52) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL19991982 0.96 HRH3 (0.48) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL20332762 0.94 HRH3 (0.45) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL20332771 0.92 HRH3 (0.51) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL25009132 0.90 HRH3 (0.58) HRH3MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL20332383 0.90 HRH3 (0.49) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL10103385 0.90 HRH3 (0.61) HRH3MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL1277024 0.88 HRH3 (0.54) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL501637 0.88 HRH3 (0.52) HRH3MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL21472087 0.88 HRH3 (0.65) HRH3KCNH2MEN1ALDH1A1CYP1A2

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-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed