SCHEMBL14722284

SCHEMBL14722284

Brc1ccc(C=C2CCCN(C3CCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MCHR1 Q99705 1/20 0.40
SRD5A2 P31213 2/20 0.39
GPR183 P32249 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR7 P34969 2/20 0.35
MBTD1 Q05BQ5 1/20 0.35
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL14722836 0.97 HRH3 (0.41) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14720920 0.95 HRH3 (0.47) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14720608 0.92 HRH3 (0.43) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14720921 0.78 L3MBTL3 (0.41) L3MBTL3L3MBTL1MCHR1CHRNA7HTR7
SCHEMBL14721035 0.78 MCHR1 (0.36) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14720311 0.78 MCHR1 (0.38) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14720913 0.77 GPR183 (0.38) HRH3L3MBTL3L3MBTL1MCHR1SRD5A2
SCHEMBL14721063 0.77 HRH3 (0.47) HRH3L3MBTL3L3MBTL1SRD5A2MBTD1
SCHEMBL14720496 0.77 HRH3 (0.41) HRH3L3MBTL3L3MBTL1SRD5A2SLC18A3
SCHEMBL14720838 0.77 SRD5A2 (0.44) HRH3L3MBTL3L3MBTL1SRD5A2TSHR

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