SCHEMBL20718641

SCHEMBL20718641

CCC1OCCc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ADRA2A P08913 1/20 0.40
PNMT P11086 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SRD5A1 P18405 1/20 0.37
TAAR1 Q96RJ0 7/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
KDM1A O60341 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
HTR2B P41595 1/20 0.33

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
SCHEMBL20699974 0.84 DRD1 (0.49) MAPTHTTADRA2AADRA2BADRA2C
SCHEMBL20703561 0.83 TAAR1 (0.55) MAPTHTTADRA2AADRA2BADRA2C
SCHEMBL20700301 0.83 TAAR1 (0.55) MAPTHTTADRA2AADRA2BADRA2C
SCHEMBL8549512 0.83 MAPT (0.38) MAPTHTTADRA2AADRA2BADRA2C
SCHEMBL5090707 0.81 PNMT (0.41) MAPTHTTPNMTHTR2ASLC6A4
SCHEMBL5088620 0.81 PNMT (0.41) MAPTHTTPNMTHTR2ASLC6A4
SCHEMBL7092032 0.81 MAPT (0.38) MAPTHTTADRA2APNMTADRA2B
SCHEMBL5093605 0.79 MAPT (0.43) MAPTHTTSRD5A1ALDH1A1THRB
SCHEMBL5090662 0.79 MAPT (0.43) MAPTHTTSRD5A1ALDH1A1THRB
SCHEMBL28745705 0.79 MAPT (0.39) MAPTHTTSRD5A1HTR2AHTR2C

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-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO disclosed