SCHEMBL17892192

SCHEMBL17892192

NC[C@@H](c1ccc(Br)cc1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
RPS6KB1 P23443 1/20 0.39
NEK1 Q96PY6 2/20 0.38
EPHX1 P07099 1/20 0.38
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
PKM P14618 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TP53 P04637 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
SCHEMBL17892193 1.00 HTR2A (0.44) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892060 0.98 HTR2A (0.43) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL7237143 0.98 HTR2A (0.43) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892140 0.98 HTR2A (0.43) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892061 0.98 HTR2A (0.43) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892053 0.96 HTR2A (0.44) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892052 0.96 HTR2A (0.44) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892086 0.92 HTR2A (0.47) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892084 0.92 HTR2A (0.47) HTR2AMEN1KMT2AMITFRPS6KB1
SCHEMBL17892063 0.84 HTR2A (0.38) HTR2AMEN1KMT2AMITFRPS6KB1

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