SCHEMBL14720708

SCHEMBL14720708

CC(C)(C)N1CCC(=Cc2ccc(CBr)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 2/20 0.33
OGA O60502 5/20 0.32
MCHR1 Q99705 3/20 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
SCHEMBL14721350 0.84 HPGD (0.39) SRD5A1SRD5A2OGAMCHR1
SCHEMBL14720435 0.82 MCHR1 (0.37) SRD5A2MCHR1
SCHEMBL17713023 0.78 GRIN2D (0.44) SRD5A1SRD5A2OGA
SCHEMBL15689389 0.76 CHRNA7 (0.44) OGA
SCHEMBL14720923 0.76 OGA (0.33) OGA
SCHEMBL14720589 0.76 GRM5 (0.43) SRD5A1SRD5A2OGA
SCHEMBL14720706 0.74 SRD5A1 (0.51) SRD5A1SRD5A2OGAMCHR1
SCHEMBL14721266 0.73 SRD5A1 (0.40) SRD5A1SRD5A2OGAMCHR1
SCHEMBL14720841 0.72 SRD5A2 (0.35) SRD5A1SRD5A2OGA
SCHEMBL14720513 0.72 SRD5A1 (0.33) SRD5A1

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