SCHEMBL14720798

SCHEMBL14720798

OC1(Cc2ccc(C=C3CCN(C4CCOC4)CC3)cc2)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL14720772 0.89 HRH3 (0.37) SRD5A2
SCHEMBL14720504 0.86 HRH3 (0.35) SRD5A2
SCHEMBL14720505 0.86 HRH3 (0.35) SRD5A2
SCHEMBL14720674 0.85 SRD5A2 (0.30) SRD5A2
SCHEMBL14720667 0.83 SRD5A2 (0.34) SRD5A2
SCHEMBL14720924 0.79 SRD5A2 (0.38) SRD5A2
SCHEMBL14720913 0.76 GPR183 (0.38) SRD5A2KMT2A
SCHEMBL14720612 0.76 HRH3 (0.35) SRD5A2
SCHEMBL14720789 0.76 HRH3 (0.37) SRD5A2
SCHEMBL14720727 0.74 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