SCHEMBL31098207

SCHEMBL31098207

Clc1ccc2c(c1)C(Cl)Nc1ccccc1O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
ADRA2A P08913 3/20 0.47
DRD2 P14416 3/20 0.47
ADRA2C P18825 3/20 0.47
DRD1 P21728 3/20 0.47
HRH1 P35367 3/20 0.47
DRD3 P35462 3/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
GABRA1 P14867 1/20 0.47
ADRA2B P18089 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL12386346 0.83 LMNA (0.64) LMNAMAPTMEN1KMT2AALOX5
SCHEMBL8786002 0.74 HTR2A (0.49) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL11541659 0.74 LMNA (0.42) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL11615850 0.74 HTR2A (0.46) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL16144375 0.74 DRD2 (0.52) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL6045366 0.73 ALOX5 (0.65) HTR2BLMNAMAPTHTR7AHR
Fumaric Acid SCHEMBL11097331 0.71 HRH2 (0.52) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12142512 0.71 MEN1 (0.45) GABRA1GABRA2GABRB2LMNAMAPT
SCHEMBL18371391 0.71 MEN1 (0.42) LMNAMAPTMEN1KMT2AALOX5
SCHEMBL11098945 0.71 HTR2A (0.43) HTR2AHTR2CADRA2ADRD2ADRA2C

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-4428132-A1 SLACK-ACTIVATING COMPOUNDS AND THEIR MEDICAL USE Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2024-09-11 EP disclosed