SCHEMBL6861934

SCHEMBL6861934

C#Cc1ccc(OCCCc2c[nH]c(OC(=O)/C=C\C(=O)Oc3nc(CCCOc4ccc(C#C)cc4)c[nH]3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
NPC1 O15118 1/20 0.33
BCHE P06276 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 1/20 0.33

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
Maleic Acid SCHEMBL6861930 0.73
Fumaric Acid SCHEMBL2878868 0.73
SCHEMBL7990915 0.72 LMNA (0.42) HRH3
SCHEMBL7976831 0.72 FFAR1 (0.37) KCNH2HRH3
SCHEMBL7991427 0.71 HRH3 (0.37) KCNH2HRH3
SCHEMBL7987317 0.69 KCNH2 (0.39) KCNH2HRH3
SCHEMBL7991433 0.68 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL29331116 0.65 HCAR2 (0.45) HAO1MAOBRAB9A
SCHEMBL22597090 0.65 THRB (0.67)
SCHEMBL7988354 0.64 SMN1; SMN2 (0.45) HRH3NPC1RAB9A

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
EP-1416046-A1 USE OF HISTAMINE RECEPTOR H3 GENE IN CONTROLLING BODY WEIGHT OR FOOD INTAKE BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1416046-A1 USE OF HISTAMINE RECEPTOR H3 GENE IN CONTROLLING BODY WEIGHT OR FOOD INTAKE BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed