SCHEMBL14730640

SCHEMBL14730640

CC(O)(c1ccc(CNC2CCCC2)cc1)C1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.42
FABP6 P51161 1/20 0.39
TEAD1 P28347 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CCR3 P51677 2/20 0.37
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL14730983 1.00 HRH3 (0.43) HRH3HDAC1POLBFABP6TEAD1
SCHEMBL14721114 0.76 SLC18A3 (0.53) HRH3HDAC1POLBFABP6BCHE
SCHEMBL4206550 0.75 ACHE (0.58) HRH3POLBFABP6BCHEACHE
SCHEMBL14720459 0.75 HDAC1 (0.46) HRH3HDAC1POLBFABP6ACHE
SCHEMBL14720750 0.73 HRH3 (0.46) HRH3HDAC1POLBFABP6
SCHEMBL14720929 0.73 HRH3 (0.46) HRH3HDAC1POLBFABP6BCHE
SCHEMBL14720596 0.73 HDAC1 (0.53) HRH3HDAC1POLB
SCHEMBL12666604 0.73 HRH3 (0.58) HRH3HDAC1POLBBCHEACHE
SCHEMBL12666606 0.73 HRH3 (0.62) HRH3HDAC1POLB
SCHEMBL16055301 0.72 ACHE (0.52) HRH3HDAC1POLBFABP6BCHE

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-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed