SCHEMBL17892155

SCHEMBL17892155

CNC[C@@H](c1ccc(Br)cc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.60
SLC6A4 P31645 12/20 0.60
SLC6A3 Q01959 12/20 0.60
CYP2D6 P10635 9/20 0.42
CYP3A4 P08684 8/20 0.42
KCNH2 Q12809 6/20 0.42
TAAR1 Q96RJ0 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL17892157 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL17892183 0.77 SMN1; SMN2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2
SCHEMBL1897214 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL1903870 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL17455449 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL1898584 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL1903873 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL12004648 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL17455448 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL17892071 0.75 TAAR1 (0.63) SLC6A2SLC6A4SLC6A3TAAR1SMN1; SMN2

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-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed