SCHEMBL14720541

SCHEMBL14720541

CCOC(=O)C1(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
OPRM1 P35372 8/20 0.43
PKM P14618 1/20 0.42
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3270770 0.80 HRH3 (0.55) POLB
SCHEMBL14720746 0.78 HRH3 (0.38) MEN1KMT2A
SCHEMBL14720855 0.78 POLB (0.40) POLBPKMKCNH2MAPTMEN1
SCHEMBL14720551 0.77 ALDH1A1 (0.56) POLBMAPTNPC1MAPK1RAB9A
SCHEMBL14720837 0.77 TACR1 (0.35) SLC6A4
SCHEMBL14720765 0.77 KMT2A (0.38) POLBPKMMAPTMEN1NPC1
SCHEMBL14720847 0.76 HRH3 (0.38) OPRM1MEN1KMT2A
SCHEMBL14720675 0.76 HRH3 (0.36)
SCHEMBL14720465 0.76 HRH3 (0.36)
SCHEMBL14720966 0.75 HRH3 (0.36)

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