SCHEMBL14723527

SCHEMBL14723527

COC(=O)c1ccc(C=C2CCN(C3CCC3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.52
HRH1 P35367 1/20 0.42
OGA O60502 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14723483 0.83 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL14720398 0.78 HRH3 (0.45) HRH3OGAKCNH2
SCHEMBL14720751 0.77 HRH3 (0.52) HRH3OGAMAPK1L3MBTL1
SCHEMBL14731083 0.77 SRD5A2 (0.46) HRH3
SCHEMBL14721178 0.76 HRH3 (0.43) HRH3
SCHEMBL14720781 0.75 HRH3 (0.45) HRH3
SCHEMBL14720551 0.74 ALDH1A1 (0.56) MAPK1
SCHEMBL29108250 0.74 MAPK1 (0.50) OGAMAPK1L3MBTL1
SCHEMBL14720329 0.73 HRH3 (0.35) HRH3KCNH2
SCHEMBL14731087 0.72 KDM4E (0.42) HRH3OGA

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