SCHEMBL7093907

SCHEMBL7093907

NCC(c1ccccc1)N(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
SLC6A3 Q01959 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
DRD3 P35462 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
EPHX1 P07099 1/20 0.36
HRH1 P35367 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7093914 0.89 TAAR1 (0.52) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7092760 0.85 HTR2A (0.43) HTR2ATAAR1SLC6A2SLC6A4CHRM2
SCHEMBL7090263 0.84 CYP3A4 (0.50) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7093897 0.83 IDO1 (0.46) HTR2ATAAR1SLC6A2SLC6A4CHRM2
SCHEMBL7094120 0.77 SLC6A2 (0.41) HTR2ATAAR1SLC6A2SLC6A4CHRNB2
SCHEMBL7093892 0.74 SLC6A2 (0.45) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9533613 0.72 HTR2A (1.00) HTR2ATAAR1SLC6A2SLC6A4OPRM1
SCHEMBL9528231 0.72 HTR2A (1.00) HTR2ATAAR1SLC6A2SLC6A4OPRM1
SCHEMBL9531164 0.72 HTR2A (1.00) HTR2ATAAR1SLC6A2SLC6A4OPRM1
SCHEMBL7094983 0.72 NR3C2 (0.57) ALDH1A1HTT

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