SCHEMBL12159751

SCHEMBL12159751

CC(C)N1CCN(c2ccc(-c3ccc(N)cc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.48
TLR8 Q9NR97 3/20 0.48
TLR7 Q9NYK1 2/20 0.48
OGA O60502 1/20 0.47
FYN P06241 1/20 0.45
HRH3 Q9Y5N1 8/20 0.44
ACVR1 Q04771 1/20 0.44
RET P07949 1/20 0.43
HDAC4 P56524 1/20 0.43
ALK Q9UM73 1/20 0.42
CNR2 P34972 2/20 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
SCHEMBL1476237 0.88 OGA (0.57) TLR9TLR8TLR7OGAHRH3
SCHEMBL1742758 0.85 TLR9 (0.52) TLR9TLR8TLR7OGAHRH3
SCHEMBL1744089 0.85 CNR2 (0.49) TLR9TLR8TLR7OGAHRH3
SCHEMBL1742814 0.85 HRH3 (0.52) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1744840 0.85 TLR9 (0.46) TLR9TLR8TLR7FYNHRH3
SCHEMBL12159783 0.84 FYN (0.46) TLR8OGAFYNHRH3ALK
SCHEMBL15166541 0.84 TLR9 (0.55) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1742769 0.83 HRH3 (0.54) TLR9TLR8TLR7FYNHRH3
SCHEMBL1743226 0.83 ALK (0.46) TLR9TLR8TLR7OGAFYN
SCHEMBL12159833 0.83 OGA (0.42) TLR9TLR8TLR7OGAHRH3

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
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed