SCHEMBL5239194

SCHEMBL5239194

C[N+]1(CCO)CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
GOT1 P17174 1/20 0.43
EPHX2 P34913 1/20 0.43
ALOX5 P09917 1/20 0.41
PDGFRB P09619 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Iodide SCHEMBL4156720 0.99 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Hydrochloric Acid SCHEMBL4162672 0.99 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4171632 0.99 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Hydrochloric Acid SCHEMBL4154088 0.94 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4167080 0.94 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4155323 0.94 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4149889 0.88 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4157647 0.88 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4155340 0.87 ALDH1A1 (0.61) MAPTNPSR1MEN1KMT2AALDH1A1
Iodide SCHEMBL4164756 0.85 MAPT (0.60) MAPTNPSR1POLBPKMMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 EP disclosed