SCHEMBL4736079

SCHEMBL4736079

Nc1nc(NCCCN2CCCCC2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.52
▸ ADORA1 P30542 3/20 0.52
▸ ADORA2A P29274 3/20 0.52
▸ HRH4 Q9H3N8 7/20 0.51
▸ HRH1 P35367 3/20 0.46
▸ HRH2 P25021 2/20 0.46
▸ TLR8 Q9NR97 2/20 0.43
▸ TLR7 Q9NYK1 2/20 0.43
▸ ACP1 P24666 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ MALT1 Q9UDY8 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
SCHEMBL14084153 0.99 HRH4 (0.52) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084147 0.97 HRH4 (0.52) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084160 0.96 HRH4 (0.51) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084159 0.93 HRH4 (0.54) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084158 0.90 HRH4 (0.54) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084161 0.78 HRH4 (0.49) HRH3HRH4HRH1HRH2ACP1
SCHEMBL14084166 0.78 HRH4 (0.48) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084176 0.78 HRH3 (0.50) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084182 0.78 HRH4 (0.47) HRH3ADORA1ADORA2AHRH4HRH1
SCHEMBL14084126 0.77 HRH4 (0.52) HRH3HRH4HRH1HRH2

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-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 — — WO disclosed
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