SCHEMBL14720784

SCHEMBL14720784

CCN1CCC/C(=C\c2ccc(C3(O)CCOCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
OGA O60502 8/20 0.33
HTR1D P28221 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KLK7 P49862 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD11B1 P28845 1/20 0.31
MCHR1 Q99705 1/20 0.31
DRD2 P14416 2/20 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
SCHEMBL14720785 1.00 HRH3 (0.44) HRH3MEN1LMNAKMT2AALDH1A1
SCHEMBL14720571 0.88 HRH3 (0.42) HRH3MEN1KMT2AALDH1A1OGA
SCHEMBL14720691 0.88 HRH3 (0.42) HRH3MEN1KMT2AALDH1A1OGA
SCHEMBL14720570 0.88 HRH3 (0.42) HRH3MEN1KMT2AALDH1A1OGA
SCHEMBL14720927 0.85 OPRM1 (0.46) HRH3MCHR1DRD2
SCHEMBL14720605 0.85 OPRM1 (0.46) HRH3MCHR1DRD2
SCHEMBL14720604 0.85 OPRM1 (0.46) HRH3MCHR1DRD2
SCHEMBL14720548 0.81 HRH3 (0.37) HRH3OGAHTR1D
SCHEMBL14720850 0.81 HRH3 (0.37) HRH3OGAHTR1D
SCHEMBL14720549 0.81 HRH3 (0.37) HRH3OGAHTR1D

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 2 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