SCHEMBL14720813

SCHEMBL14720813

OC1(c2ccc(C=C3CCCN(C4CCCC4)CC3)cc2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
SRD5A2 P31213 2/20 0.35
SLC18A3 Q16572 1/20 0.34
CCR1 P32246 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 3/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL14720811 1.00 HRH3 (0.36) HRH3SRD5A2SLC18A3CCR1MEN1
SCHEMBL14721107 1.00 HRH3 (0.36) HRH3SRD5A2SLC18A3CCR1MEN1
SCHEMBL14720602 0.98 HRH3 (0.36) HRH3SRD5A2SLC18A3CCR1L3MBTL3
SCHEMBL14720603 0.98 HRH3 (0.36) HRH3SRD5A2SLC18A3CCR1L3MBTL3
SCHEMBL14720966 0.98 HRH3 (0.36) HRH3SRD5A2SLC18A3CCR1L3MBTL3
SCHEMBL14720847 0.96 HRH3 (0.38) HRH3SRD5A2SLC18A3CCR1MEN1
SCHEMBL14720746 0.94 HRH3 (0.38) HRH3SLC18A3CCR1MEN1KMT2A
SCHEMBL14720807 0.91 HRH3 (0.36) HRH3SLC18A3CCR1MEN1KMT2A
SCHEMBL14720770 0.87 HRH3 (0.34) HRH3SRD5A2SLC18A3CCR1OPRL1
SCHEMBL14721332 0.84 HRH3 (0.39) HRH3SRD5A2SLC18A3CCR1MEN1

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