SCHEMBL14720636

SCHEMBL14720636

CC(C)(C)N1CCC(=Cc2ccc(Br)cn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14720686 0.77 GRM5 (0.47)
SCHEMBL14720435 0.76 MCHR1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14720274 0.75 ALDH1A1 (0.39) CTHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14721331 0.74 HRH3 (0.45)
SCHEMBL14720923 0.73 OGA (0.33)
SCHEMBL5717195 0.67 OPRM1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17713023 0.66 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15093985 0.66 PDE2A (0.39)
SCHEMBL15689459 0.66 MAPT (0.46) KDM4E
SCHEMBL8515851 0.65 DGAT1 (0.49)

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