SCHEMBL14720850

SCHEMBL14720850

CC(C)N1CCC/C(=C\c2ccc(C3(O)CCOCC3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
OGA O60502 2/20 0.34
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
OPRL1 P41146 4/20 0.33
SRD5A2 P31213 3/20 0.31
HTR1D P28221 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL14720549 1.00 HRH3 (0.37) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14720548 1.00 HRH3 (0.37) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14731074 0.95 HRH3 (0.38) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14721259 0.85 HRH3 (0.38) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14720571 0.83 HRH3 (0.42) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14720691 0.83 HRH3 (0.42) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14720570 0.83 HRH3 (0.42) HRH3OGAOPRM1OPRD1OPRK1
SCHEMBL14720785 0.81 HRH3 (0.44) HRH3OGAHTR1D
SCHEMBL14720784 0.81 HRH3 (0.44) HRH3OGAHTR1D
SCHEMBL14720966 0.78 HRH3 (0.36) HRH3OPRL1SRD5A2

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