SCHEMBL7093897

SCHEMBL7093897

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HTR2A P28223 2/20 0.44
TAAR1 Q96RJ0 5/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KIF11 P52732 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL7092760 0.92 HTR2A (0.43) IDO1TDO2HTR2ATAAR1SLC6A2
SCHEMBL7093907 0.83 HTR2A (0.56) HTR2ATAAR1SLC6A2SLC6A4MEN1
SCHEMBL7093914 0.82 TAAR1 (0.52) HTR2ATAAR1SLC6A2SLC6A4
SCHEMBL7093892 0.81 SLC6A2 (0.45) HTR2ATAAR1SLC6A2SLC6A4
SCHEMBL7094120 0.78 SLC6A2 (0.41) HTR2ATAAR1SLC6A2SLC6A4MEN1
SCHEMBL3902718 0.77 HTR2A (0.68) IDO1TDO2HTR2ATAAR1KIF11
SCHEMBL7090263 0.74 CYP3A4 (0.50) HTR2ATAAR1SLC6A2SLC6A4
SCHEMBL11078413 0.72 IDO1 (0.52) IDO1TDO2HTR2ATAAR1
SCHEMBL7093212 0.72 NR3C1 (0.54)
SCHEMBL7093895 0.71 IDO1 (0.44) IDO1TDO2MTNR1AMTNR1BMEN1

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