SCHEMBL14720720

SCHEMBL14720720

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.58
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SRD5A1 P18405 1/20 0.43
ALDH1A1 P00352 1/20 0.42
OGA O60502 1/20 0.42
L3MBTL3 Q96JM7 9/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MBTD1 Q05BQ5 4/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
Hydrochloric Acid SCHEMBL14721345 0.99 SRD5A2 (0.57) SRD5A2MAPTHPGDHTTSRD5A1
SCHEMBL14720637 0.85 L3MBTL3 (0.62) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14720988 0.82 SRD5A2 (0.49) SRD5A2HPGDALDH1A1HRH3
SCHEMBL14720518 0.82 HRH3 (0.46) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL14720551 0.81 ALDH1A1 (0.56) MAPTHPGDHTTALDH1A1
SCHEMBL14720647 0.81 HRH3 (0.43) SRD5A2OGAL3MBTL3L3MBTL1MBTD1
SCHEMBL14721918 0.79 HDAC6 (0.47) SRD5A2HRH3
SCHEMBL14720608 0.79 HRH3 (0.43) SRD5A2L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL14721400 0.79 SRD5A2 (0.48) SRD5A2SRD5A1ALDH1A1OGAL3MBTL3
SCHEMBL14721067 0.78 SRD5A2 (0.42) SRD5A2HPGDSRD5A1ALDH1A1L3MBTL3

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