SCHEMBL11244862

SCHEMBL11244862

N#Cc1ccccc1OC(Cl)(Cl)CCBr

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
MAOA P21397 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL11568266 0.77 GAA (0.46) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL28000167 0.74 GAA (0.43) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL2154632 0.73 GAA (0.50) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL11244866 0.72 ALDH1A1 (0.49) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL28866136 0.72 GAA (0.49) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL11244858 0.71 POLB (0.41) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL11748737 0.70 ALDH1A1 (0.54) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL103547 0.70 GAA (0.46) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL28020967 0.70 ALDH1A1 (0.49) GAAPOLBHTR1AADRA2AADRA2B
SCHEMBL1942660 0.69 ALDH1A1 (0.53) GAAPOLBHTR1AADRA2AADRA2B

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-4348401-A ANTIHISTAMINIC, ANTIEDEMIC, ANTIPHLOGISTIC BOEHRINGER MANNHEIM GMBH (DE) 1982-09-07 US disclosed