SCHEMBL14720929

SCHEMBL14720929

OC(Cc1ccc(CNC2CCCC2)cc1)C1CCN(C2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.41
FABP6 P51161 1/20 0.38
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
CXCL12 P48061 1/20 0.36
CXCR4 P61073 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL14720750 0.85 HRH3 (0.46) HRH3POLBHDAC1FABP6
SCHEMBL14720930 0.81 HRH3 (0.43) HRH3POLBHDAC1FABP6ACHE
SCHEMBL14721114 0.78 SLC18A3 (0.53) HRH3POLBHDAC1FABP6ACHE
SCHEMBL14720596 0.75 HDAC1 (0.53) HRH3POLBHDAC1
SCHEMBL16055301 0.74 ACHE (0.52) HRH3POLBHDAC1FABP6ACHE
SCHEMBL4206550 0.74 ACHE (0.58) HRH3POLBFABP6ACHEBACE1
SCHEMBL17455542 0.74 HRH3 (0.50) HRH3POLBHDAC1FABP6ACHE
SCHEMBL14723242 0.74 SRD5A2 (0.47) HRH3
SCHEMBL14730640 0.73 HRH3 (0.43) HRH3POLBHDAC1FABP6ACHE
SCHEMBL14730983 0.73 HRH3 (0.43) HRH3POLBHDAC1FABP6ACHE

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