SCHEMBL28757752

SCHEMBL28757752

CN(C=O)C(N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 2/20 0.47
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LAP3 P28838 3/20 0.42
ANPEP P15144 2/20 0.42

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
SCHEMBL14008049 0.79 SLC6A2 (0.56) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL19658356 0.79 SLC6A2 (0.56) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL14008050 0.79 SLC6A2 (0.56) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL4729962 0.78 SLC6A2 (0.58) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL27510000 0.75 CYP1A2 (0.48) TAAR1MEN1KMT2AALPIPKM
SCHEMBL4141616 0.75 CYP1A2 (0.48) TAAR1MEN1KMT2AALPIPKM
SCHEMBL27638171 0.73 ALPI (0.56) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Hydrochloric Acid SCHEMBL11154625 0.72 SLC6A2 (0.50) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL7430245 0.72 SLC6A2 (0.52) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL23934144 0.71 OPRK1 (0.39) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1

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
CN-100466122-C Electrolytic solution for electrolytic capacitor, and method for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEM CORP (JP) 2009-03-04 CN disclosed
CN-1708817-A Electrolytic solution for electrolytic capacitor, and method for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEM CORP (JP) 2005-12-14 CN disclosed