SCHEMBL9987635

SCHEMBL9987635

CNCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
PTPN11 Q06124 1/20 0.38
TLR4 O00206 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NCF1 P14598 2/20 0.38
OGA O60502 4/20 0.38
ADRB2 P07550 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
FYN P06241 1/20 0.35
SLC6A7 Q99884 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL1743006 0.84 ADAMTS4 (0.43) ACHEPTPN11OGAHRH3
SCHEMBL12159781 0.84 ACHE (0.40) ACHEPTPN11TLR4TLR8OGA
SCHEMBL1743233 0.83 HRH3 (0.42) ACHEPTPN11ALDH1A1GPR119HRH3
SCHEMBL1742937 0.83 GPR119 (0.43) ACHEPTPN11TLR4TLR8OGA
SCHEMBL1742764 0.79 OGA (0.46) TLR4TLR8OGAHRH3SLC6A7
SCHEMBL1742772 0.79 OGA (0.44) PTPN11TLR4TLR8OGAALDH1A1
SCHEMBL12159783 0.79 FYN (0.46) ACHEPTPN11TLR4TLR8OGA
SCHEMBL9986179 0.79 PTPN11 (0.39) ACHEPTPN11TLR4TLR8OGA
SCHEMBL1742868 0.78 SLC6A7 (0.47) PTPN11TLR4TLR8ALDH1A1GPR119
SCHEMBL1744211 0.77 OGA (0.42) ACHEPTPN11TLR4TLR8OGA

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 disclosed