SCHEMBL22601433

SCHEMBL22601433

OCN1Cc2ccccc2/C=C\c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1B Q00975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
EBP Q15125 1/20 0.40

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
SCHEMBL19662730 0.82 HSD17B3 (0.48) HSD17B3MAPK1MEN1KMT2ATSHR
SCHEMBL27271336 0.79 ALDH1A1 (0.47) CHRM2HTR1AADRA2ACHRM1DRD2
SCHEMBL20139342 0.76 KDM4E (0.47) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL20139341 0.76 KDM4E (0.47) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL27090004 0.75 HDAC3 (0.46) HTR1ADRD2PTGS1HSD17B3MAPK1
SCHEMBL10760089 0.74 CHRM2 (0.38) CHRM2HTR1AADRA2ACHRM1DRD2
SCHEMBL23883100 0.74 HDAC3 (0.48) HTR1ADRD2PTGS1SLC6A3MEN1
SCHEMBL25698882 0.74 HDAC3 (0.45) CHRM2CHRM1OPRM1HSD17B3MEN1
SCHEMBL23883102 0.74 HDAC3 (0.48) HTR1ADRD2PTGS1SLC6A3MEN1
SCHEMBL25699276 0.73 SLC6A2 (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C

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-2020216607-A1 LABELING OF A PROTEIN OR A POLYPEPTIDE ETH ZURICH (CH) 2020-10-29 WO disclosed