SCHEMBL4729602

SCHEMBL4729602

CN(C)C(CCCN)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRB2 P07550 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KAT2B Q92831 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
OPRM1 P35372 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL6112111 0.89 AOC3 (0.44) AOC3SLC6A4SLC6A3ADRB2NISCH
SCHEMBL2279691 0.82 AOC3 (0.42) AOC3SLC6A4KAT2BOPRM1LMNA
SCHEMBL1443955 0.81 HRH1 (0.59) AOC3NISCHHTR2AHRH1TAAR1
SCHEMBL19376998 0.81 NISCH (0.52) AOC3SLC6A4SLC6A3ADRB2NISCH
SCHEMBL2277962 0.79 AOC3 (0.42) AOC3SLC6A4SLC6A3ADRB2HTR2A
SCHEMBL4739377 0.78 AOC3 (0.44) AOC3SLC6A4SLC6A3ADRB2HTR2A
SCHEMBL11566936 0.76 ADRB2 (0.48) AOC3SLC6A4SLC6A3ADRB2HTR2A
SCHEMBL19402470 0.75 AOC3 (0.44) AOC3SLC6A4SLC6A3ADRB2NISCH
SCHEMBL27807862 0.73 AOC3 (0.52) AOC3SLC6A4SLC6A3HTR2AHRH1
SCHEMBL13493150 0.73 SLC6A4 (0.46) SLC6A4SLC6A3ADRB2HTR2AHRH1

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
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 WO disclosed