SCHEMBL11277012

SCHEMBL11277012

Clc1ccc2c(c1)COc1ccccc1C2Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.40
MAOA P21397 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HRH1 P35367 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1D P25100 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL11281780 0.86 MAOB (0.46) HTR2BMAOAHTR2AHTR2CHRH1
SCHEMBL11272147 0.85 MAOB (0.43) HTR2BMAOAHTR2AHTR2CHRH1
SCHEMBL10446732 0.84 HTR2B (0.41) HTR2BMAOAHTR2AHTR2CHRH1
SCHEMBL5400526 0.84 HTR2A (0.44) MAOAHTR2AHTR2CHRH1DRD2
SCHEMBL10444478 0.81 HTR2B (0.39) HTR2BMAOAHTR2AHTR2CHRH1
SCHEMBL11272135 0.81 HTR2B (0.36) HTR2BMAOAHTR2AHTR2CHRH1
SCHEMBL13939809 0.77 HTR1A (0.38) HTR2BHTR2AHTR2CHTR1ADRD1
SCHEMBL9530007 0.74 NR3C2 (0.44) HTR2BDRD2DRD3HTR1AADRA2A
SCHEMBL9528836 0.74 TERT (0.42) HTR2AHTR2CHRH1SLC6A2SLC6A4
SCHEMBL10728083 0.74 MAOB (0.42) HTR2BMAOAHTR2AHTR2CHRH1

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
US-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 US disclosed