SCHEMBL14720637

SCHEMBL14720637

O=C(c1ccc(C=C2CCN(C3CCC3)CC2)cc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 19/20 0.62
L3MBTL1 Q9Y468 17/20 0.62
MBTD1 Q05BQ5 6/20 0.58
TP53BP1 Q12888 2/20 0.58
L3MBTL4 Q8NA19 2/20 0.58
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL14721159 0.86 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14720720 0.85 SRD5A2 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL14721345 0.84 SRD5A2 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14720689 0.82 HRH3 (0.55) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14723483 0.82 L3MBTL3 (0.55) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14720873 0.81 ALDH1A1 (0.54) L3MBTL3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL14721173 0.81 LRRK2 (0.54) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14720939 0.81 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1MEN1
SCHEMBL14721516 0.81 MEN1 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1KDM4E
SCHEMBL14721333 0.81 SRD5A2 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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
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