SCHEMBL8250244

SCHEMBL8250244

C=C(O)c1ccc(CN(C)c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
ADRA2A P08913 3/20 0.48
DRD1 P21728 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 3/20 0.48
SLC6A2 P23975 2/20 0.48
ADRA1A P35348 2/20 0.48
HTR2A P28223 2/20 0.48
HRH1 P35367 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
OPRK1 P41145 1/20 0.48
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8283845 0.85 ALDH1A1 (0.62) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL4747138 0.84 CHRM2 (0.63) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Potassium Ion SCHEMBL1473743 0.80 TSHR (0.48) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL14220155 0.80 MEN1 (0.56) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL1474021 0.79 ALDH1A1 (0.65) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL9445313 0.78 HIF1A (0.46) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL4743411 0.76 ALDH1A1 (0.51) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL19501378 0.76 GAA (0.52) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL19513572 0.76 TSHR (0.50) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL8362958 0.76 LMNA (0.68) CHRM2ADRA2ADRD1SLC6A4SLC6A3

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-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed