SCHEMBL14720939

SCHEMBL14720939

O=C(c1ccc(C=C2CCN(C3CCC3)CC2)cc1Cl)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.44
L3MBTL1 Q9Y468 9/20 0.44
TP53BP1 Q12888 3/20 0.44
MBTD1 Q05BQ5 3/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HSP90AA1 P07900 2/20 0.41
LRRK2 Q5S007 1/20 0.41
HPGD P15428 4/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 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
SCHEMBL14721516 0.86 MEN1 (0.49) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3
SCHEMBL14721178 0.83 HRH3 (0.43) HRH3HPGDNPC1
SCHEMBL14720637 0.81 L3MBTL3 (0.62) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL14721173 0.77 LRRK2 (0.54) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3
SCHEMBL14723483 0.76 L3MBTL3 (0.55) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3
SCHEMBL14720873 0.73 ALDH1A1 (0.54) L3MBTL3L3MBTL1TSHRHPGDKMT2A
SCHEMBL14720720 0.71 SRD5A2 (0.58) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3
SCHEMBL1085239 0.71 L3MBTL3 (0.67) L3MBTL3L3MBTL1TP53BP1MBTD1LRRK2
SCHEMBL14721333 0.70 SRD5A2 (0.52) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3
Hydrochloric Acid SCHEMBL14721345 0.70 SRD5A2 (0.57) L3MBTL3L3MBTL1TP53BP1MBTD1HRH3

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