SCHEMBL14720792

SCHEMBL14720792

Clc1c[c]ccc1C=C1CCN(C2CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14721775 0.77 HRH3 (0.43) HRH3L3MBTL3L3MBTL1
SCHEMBL14721335 0.76 HRH3 (0.39) HRH3ALDH1A1MAPK1KMT2AL3MBTL3
SCHEMBL14721063 0.74 HRH3 (0.47) HRH3MEN1ALDH1A1KMT2AL3MBTL3
SCHEMBL14720692 0.73 HRH3 (0.40) HRH3
SCHEMBL14720884 0.69 HRH3 (0.36) HRH3
SCHEMBL14721173 0.69 LRRK2 (0.54) HRH3MEN1ALDH1A1KMT2AL3MBTL3
SCHEMBL14720705 0.69 ALDH1A1 (0.44) HRH3ALDH1A1L3MBTL1
SCHEMBL14720793 0.68 IRAK4 (0.41) HRH3
SCHEMBL14721152 0.68 HRH3 (0.41) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL14720518 0.67 HRH3 (0.46) HRH3ALDH1A1L3MBTL3L3MBTL1

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 claimed