SCHEMBL8004907

SCHEMBL8004907

O=C(CO)N(C1CCCCC1)C1CCN(C2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL8002704 0.92 HTR6 (0.41) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL13622839 0.85 SLC6A4 (0.42) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL13622807 0.83 LMNA (0.33) ALDH1A1MEN1KMT2ALMNAHTR2A
SCHEMBL13622805 0.78 EPHX2 (0.33) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL13622809 0.78 KMT2A (0.44) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2090738 0.78 KMT2A (0.44) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13622997 0.77 HRH3 (0.35) HRH3ALDH1A1MEN1KMT2AKCNH2
SCHEMBL13622841 0.77 HTR2A (0.38) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL2096559 0.76 KMT2A (0.42) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13478900 0.73 ALDH1A1 (0.43) HRH3L3MBTL3L3MBTL1ALDH1A1MEN1

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-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed