SCHEMBL14720923

SCHEMBL14720923

CC(C)(C)N1CCC(=Cc2ccc(Br)nc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OGA O60502 15/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 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
SCHEMBL21795758 0.81 HRH3 (0.48) OGA
SCHEMBL14720435 0.80 MCHR1 (0.37)
SCHEMBL14720708 0.76 SRD5A1 (0.35) OGA
SCHEMBL15689459 0.75 MAPT (0.46) CHRNB2CHRNA4
SCHEMBL14720781 0.74 HRH3 (0.45) CHRNB2CHRNA4
SCHEMBL14720636 0.73 CTH (0.33)
SCHEMBL14721350 0.73 HPGD (0.39) OGA
SCHEMBL17713023 0.73 GRIN2D (0.44) OGACHRNB2CHRNA4
SCHEMBL29108202 0.69 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL21550860 0.69 TRPV6 (0.50)

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