SCHEMBL22018905

SCHEMBL22018905

CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
SLC6A4 P31645 8/20 0.61
SLC6A2 P23975 6/20 0.61
ADRA2B P18089 5/20 0.61
ADRA2C P18825 5/20 0.61
CHRM2 P08172 5/20 0.61
CHRM1 P11229 5/20 0.61
DRD3 P35462 5/20 0.61
DRD2 P14416 4/20 0.61
CHRM3 P20309 4/20 0.61
SLC22A1 O15245 4/20 0.61
CYP2D6 P10635 4/20 0.61
ADRA1A P35348 4/20 0.61
CACNA1B Q00975 4/20 0.61
SLC6A3 Q01959 4/20 0.61
KCNH2 Q12809 4/20 0.61
HRH1 P35367 4/20 0.61
CYP3A4 P08684 4/20 0.61
LMNA P02545 4/20 0.61
HTR2C P28335 3/20 0.61

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
SCHEMBL13522139 0.88 HTR2A (0.68) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL14281158 0.88 ADRA2B (0.57) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL17979351 0.87 DRD2 (0.69) CHRM2CHRM1DRD3DRD2CHRM3
SCHEMBL30483504 0.87 DRD2 (0.69) CHRM2CHRM1DRD3DRD2CHRM3
SCHEMBL10615952 0.86 HTR2A (0.66) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL12307218 0.85 HTR2A (0.64) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL12307238 0.85 HTR2A (0.64) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL12307233 0.85 HTR2A (0.64) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL3531558 0.83 HTR2A (0.55) HTR2ASLC6A4SLC6A2ADRA2BADRA2C
SCHEMBL13051501 0.83 HTR2A (0.78) HTR2ASLC6A4SLC6A2ADRA2BADRA2C

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed