SCHEMBL7092760

SCHEMBL7092760

NCC(c1ccccc1)N(c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
TAAR1 Q96RJ0 5/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR7 P34969 1/20 0.36
KIF11 P52732 1/20 0.35
HRH1 P35367 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PDGFRB P09619 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7093897 0.92 IDO1 (0.46) HTR2AIDO1TDO2TAAR1MTNR1A
SCHEMBL7093907 0.85 HTR2A (0.56) HTR2ATAAR1SLC6A2SLC6A4HRH1
SCHEMBL7093914 0.84 TAAR1 (0.52) HTR2ATAAR1SLC6A2SLC6A4HRH1
SCHEMBL7094120 0.83 SLC6A2 (0.41) HTR2ATAAR1SLC6A2SLC6A4HRH1
SCHEMBL7093892 0.77 SLC6A2 (0.45) HTR2ATAAR1SLC6A2SLC6A4
SCHEMBL7090263 0.76 CYP3A4 (0.50) HTR2ATAAR1SLC6A2SLC6A4HRH1
SCHEMBL7094551 0.73 NR3C1 (0.56) HTR7ALDH1A1
SCHEMBL7092758 0.72 TRPM8 (0.41) IDO1TDO2MTNR1AMTNR1BALDH1A1
SCHEMBL3902718 0.72 HTR2A (0.68) HTR2AIDO1TDO2TAAR1KIF11
SCHEMBL7093212 0.71 NR3C1 (0.54) HTR7ALDH1A1

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-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed