SCHEMBL17892140

SCHEMBL17892140

NC[C@@H](c1ccc(Br)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
EPHX1 P07099 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TP53 P04637 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PKM P14618 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NEK1 Q96PY6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7237143 1.00 HTR2A (0.43) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892061 1.00 HTR2A (0.43) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892060 1.00 HTR2A (0.43) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892193 0.98 HTR2A (0.44) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892192 0.98 HTR2A (0.44) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892053 0.95 HTR2A (0.44) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892052 0.95 HTR2A (0.44) HTR2AMEN1KMT2AMITFEPHX1
SCHEMBL17892086 0.91 HTR2A (0.47) HTR2AMEN1KMT2AMITFSLC6A2
SCHEMBL17892084 0.91 HTR2A (0.47) HTR2AMEN1KMT2AMITFSLC6A2
SCHEMBL17892064 0.82 HTR2A (0.38) HTR2AMEN1KMT2AMITFSLC6A2

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