SCHEMBL9986179

SCHEMBL9986179

CC(C)N1CCN(c2ncc(-c3cc[c]cc3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TLR4 O00206 1/20 0.39
TLR8 Q9NR97 1/20 0.39
OGA O60502 12/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
FYN P06241 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
SCHEMBL1744211 0.83 OGA (0.42) PTPN11TLR4TLR8OGAKDM4E
SCHEMBL1742764 0.82 OGA (0.46) HRH3TLR4TLR8OGAKDM4E
SCHEMBL1742772 0.82 OGA (0.44) PTPN11HRH3TLR4TLR8OGA
SCHEMBL12159783 0.82 FYN (0.46) PTPN11HRH3TLR4TLR8OGA
SCHEMBL1742868 0.81 SLC6A7 (0.47) PTPN11HRH3TLR4TLR8KDM4E
SCHEMBL1743089 0.79 CYP1A2 (0.41) PTPN11HRH3TLR4TLR8OGA
SCHEMBL1742877 0.79 ACACB (0.49) HRH3OGAKDM4EALDH1A1MAPT
SCHEMBL9987635 0.79 ACHE (0.46) PTPN11HRH3TLR4TLR8OGA
SCHEMBL1742670 0.78 OGA (0.49) HRH3OGA
SCHEMBL12159781 0.78 ACHE (0.40) PTPN11HRH3TLR4TLR8OGA

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-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP claimed