SCHEMBL11200558

SCHEMBL11200558

[CH2]CCC1Cc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
AOC2 O75106 5/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
DAO P14920 1/20 0.43
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
CA2 P00918 2/20 0.38
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL6723015 0.85 HRH3 (0.53) HRH3AOC2MAOAMAOBDAO
SCHEMBL13638405 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8026169 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL11535632 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8038140 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL17193871 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8035976 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL9112710 0.80 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL7270698 0.79 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL7271562 0.79 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO

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
EP-0080822-A1 Anti-hypertensive prolinol-based peptides BEECHAM GROUP PLC (GB) 1983-06-08 EP disclosed