SCHEMBL14720722

SCHEMBL14720722

CC(=C1CCN(C2CCC2)CC1)c1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
CHRM2 P08172 4/20 0.37
L3MBTL3 Q96JM7 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MBTD1 Q05BQ5 2/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35

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
SCHEMBL14720459 0.82 HDAC1 (0.46) OPRM1OPRD1OPRK1HRH3
SCHEMBL14720484 0.78 ALDH1A1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL14721067 0.72 SRD5A2 (0.42) KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL3926615 0.72 HRH3 (0.68) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14720723 0.72 KDM2B (0.38) KDM2BHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL1790109 0.72 HRH3 (0.54) KDM2BHRH3
SCHEMBL14722010 0.71 GPR119 (0.41) OPRK1HRH3CHRM2
SCHEMBL14720838 0.70 SRD5A2 (0.44) KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL3923594 0.69 L3MBTL3 (0.66) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL16702147 0.68 HRH3 (0.57) HRH3

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