SCHEMBL6919899

SCHEMBL6919899

CC[N+](C)(C)Oc1cn(C(=O)c2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
ELANE P08246 2/20 0.36
LMNA P02545 2/20 0.36
TSPO P30536 1/20 0.35
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 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
SCHEMBL6921037 0.90 HTR6 (0.41) HTR6ALDH1A1MAPTKMT2APOLB
SCHEMBL7130815 0.87 ELANE (0.47) HTR6ELANETSPOALDH1A1DYRK1A
SCHEMBL6921379 0.83 HTR6 (0.38) HTR6LMNAALDH1A1MAPTKMT2A
SCHEMBL7063772 0.78 HTR7 (0.45) HTR6LMNAIDO1ALDH1A1DYRK1A
SCHEMBL7124751 0.75 HTR6 (0.41) HTR6LMNAIDO1ALDH1A1
SCHEMBL6918823 0.74 AKR1C3 (0.43) HTR6ELANEALDH1A1KMT2APOLB
SCHEMBL5767433 0.72 HTR6 (0.58) HTR6
SCHEMBL6821035 0.67 HTR6 (0.52) HTR6KMT2AMEN1
SCHEMBL6922481 0.66 HTR7 (0.49) HTR6ALDH1A1MAPTKMT2AMEN1
SCHEMBL7130820 0.66 DYRK1A (0.49) HTR6ELANETSPOALDH1A1DYRK1A

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-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed