SCHEMBL13627426

SCHEMBL13627426

O=C(N1CCCN(C2CCC2)CC1)N1CC(I)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL3 Q96JM7 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1507054 0.85 HRH3 (0.50) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL3857679 0.84 ALDH1A1 (0.61) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1506985 0.84 HRH3 (0.49) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1872893 0.84 HRH3 (0.49) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1507265 0.83 HRH3 (0.53) HRH3KCNH2ALDH1A1
SCHEMBL16207888 0.83 HRH3 (0.48) HRH3KCNH2ALDH1A1POLBHSD17B10
SCHEMBL27813833 0.82 HRH3 (0.61) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1507068 0.82 HRH3 (0.51) HRH3KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1507226 0.81 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL1507140 0.81 HRH3 (0.52) HRH3KCNH2ALDH1A1

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-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 — — WO disclosed
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