SCHEMBL14720689

SCHEMBL14720689

O=C(c1ccc(C=C2CCN(C3CCC3)CC2)nc1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.55
L3MBTL3 Q96JM7 9/20 0.55
L3MBTL1 Q9Y468 7/20 0.55
MBTD1 Q05BQ5 4/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
KCNH2 Q12809 3/20 0.48

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
SCHEMBL14720751 0.83 HRH3 (0.52) HRH3L3MBTL1
SCHEMBL14720637 0.82 L3MBTL3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14723483 0.77 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14721331 0.76 HRH3 (0.45) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL14721173 0.76 LRRK2 (0.54) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14721333 0.76 SRD5A2 (0.52) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14720367 0.76 HRH3 (0.42) HRH3
SCHEMBL10138882 0.75 HRH3 (0.64) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL3975118 0.72 ALDH1A1 (0.65) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL523887 0.72 HRH3 (0.68) HRH3L3MBTL3L3MBTL1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed