SCHEMBL14720575

SCHEMBL14720575

C(=C1CCN(C2CCC2)CC1)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HRH3 Q9Y5N1 9/20 0.49
HRH4 Q9H3N8 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MBTD1 Q05BQ5 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53BP1 Q12888 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
SCHEMBL14720710 0.88 HRH3 (0.56) L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL14721065 0.86 HRH3 (0.41) L3MBTL3L3MBTL1HRH3ALDH1A1KDM4E
SCHEMBL14731055 0.86 HRH3 (0.53) L3MBTL3L3MBTL1HRH3KDM4EKMT2A
SCHEMBL14720643 0.85 OPRM1 (0.41) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL14731088 0.83 HRH3 (0.38) L3MBTL3L3MBTL1HRH3HRH4KDM4E
SCHEMBL14721179 0.82 L3MBTL1 (0.50) L3MBTL3L3MBTL1HRH3MBTD1CYP2D6
SCHEMBL14721067 0.82 SRD5A2 (0.42) L3MBTL3L3MBTL1HRH3ALDH1A1KDM4E
SCHEMBL14720463 0.80 L3MBTL1 (0.47) L3MBTL1HRH3ALDH1A1KMT2A
SCHEMBL14722538 0.79 POLB (0.36) L3MBTL3L3MBTL1HRH3
SCHEMBL14720838 0.79 SRD5A2 (0.44) L3MBTL3L3MBTL1HRH3ALDH1A1KDM4E

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