SCHEMBL4881352

SCHEMBL4881352

CCOC(=O)c1cc2cc(N)cc(-c3c(Br)cnn3C)c2o1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.39
HTR2C P28335 12/20 0.39
MAOB P27338 1/20 0.35
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4796153 0.84 MAPT (0.43) HTR2AHTR2CMAOB
SCHEMBL4780197 0.80 HTR2A (0.42) HTR2AHTR2C
SCHEMBL4780191 0.79 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4727771 0.79 HTR2A (0.57) HTR2AHTR2C
SCHEMBL4727184 0.79 HTR2A (0.60) HTR2AHTR2C
SCHEMBL4725894 0.76 HTR2A (0.59) HTR2AHTR2CTSHR
Hydrochloric Acid SCHEMBL6983043 0.74 ALDH1A1 (0.43) MAOBAKR1B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6981973 0.72 GAA (0.44) MAOBAKR1B1MEN1TSHRKMT2A
SCHEMBL1530265 0.71 HTR2A (0.45) HTR2AHTR2C
SCHEMBL4778434 0.71 HTR2A (0.37) HTR2AHTR2CMEN1KMT2A

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-2008027483-A1 BENZOFURAN DERIVATIVES AS MODULATORS OF THE 5-HT2A RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed