SCHEMBL14720522

SCHEMBL14720522

CC(O)c1ccc(C=C2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 1/20 0.39
SRD5A2 P31213 3/20 0.38
KDM2B Q8NHM5 3/20 0.35
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 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
SCHEMBL14722438 0.90 HRH3 (0.39) HRH3MCHR1SRD5A2KDM2BCHRM2
SCHEMBL14731163 0.86 MCHR1 (0.38) HRH3MCHR1SRD5A2KDM2B
SCHEMBL14720591 0.84 SRD5A2 (0.44) HRH3MCHR1SRD5A2CHRM2CHRM1
SCHEMBL14720882 0.83 SRD5A2 (0.43) HRH3MCHR1SRD5A2CHRM1
SCHEMBL14720721 0.82 HRH3 (0.36) HRH3MCHR1SRD5A2
SCHEMBL14721351 0.81 MCHR1 (0.40) HRH3MCHR1SRD5A2
SCHEMBL14720831 0.80 HRH3 (0.42) HRH3MCHR1SRD5A2L3MBTL3
SCHEMBL14720897 0.79 SRD5A2 (0.38) HRH3MCHR1SRD5A2
SCHEMBL14721010 0.78 SRD5A2 (0.39) HRH3MCHR1SRD5A2CHRM1
SCHEMBL14721353 0.78 SRD5A2 (0.42) HRH3MCHR1SRD5A2

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 3 patents. 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 claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed