SCHEMBL27728017

SCHEMBL27728017

CC(C(=O)C(C)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc1)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
OGA O60502 3/20 0.44
ACACB O00763 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
RET P07949 1/20 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
SCHEMBL27728075 0.86 OGA (0.44) TLR8OGAACACB
SCHEMBL1743852 0.83 HRH3 (0.57) HRH3TLR9TLR8TLR7OGA
SCHEMBL1743345 0.83 HRH3 (0.57) HRH3TLR9TLR8TLR7OGA
SCHEMBL27921240 0.82 TLR9 (0.44) HRH3TLR9TLR8TLR7OGA
SCHEMBL27707230 0.81 NPC1 (0.46) HRH3
SCHEMBL27676516 0.80 HRH3 (0.47) HRH3OGA
SCHEMBL1744098 0.80 HRH3 (0.60) HRH3TLR9TLR8TLR7
SCHEMBL1743029 0.80 KDM4E (0.54) HRH3ACACB
SCHEMBL1742758 0.80 TLR9 (0.52) HRH3TLR9TLR8TLR7OGA
SCHEMBL1744089 0.80 CNR2 (0.49) HRH3TLR9TLR8TLR7OGA

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-103110635-A Histamine H3 receptor antagonist NOVO NORDISK AS 2013-05-22 CN disclosed
CN-101218206-A Histamine H3 receptor antagonists NOVO NORDISK AS (DK) 2008-07-09 CN disclosed