SCHEMBL14720643

SCHEMBL14720643

COC1CCN(Cc2ccc(C=C3CCN(C4CCC4)CC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
LTA4H P09960 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.38
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL14720575 0.85 L3MBTL3 (0.51) HRH3L3MBTL3L3MBTL1MBTD1KMT2A
SCHEMBL14720710 0.82 HRH3 (0.56) HRH3L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL14720524 0.81 PDE4A (0.35) L3MBTL1SMN1; SMN2
SCHEMBL14720525 0.81 PDE4A (0.35) L3MBTL1SMN1; SMN2
SCHEMBL14720597 0.80 POLB (0.38) HRH3KMT2A
SCHEMBL14721065 0.80 HRH3 (0.41) HRH3L3MBTL3L3MBTL1MBTD1KMT2A
SCHEMBL14731055 0.80 HRH3 (0.53) HRH3L3MBTL3L3MBTL1SMN1; SMN2KMT2A
SCHEMBL14731088 0.79 HRH3 (0.38) HRH3L3MBTL3L3MBTL1KMT2A
SCHEMBL14720875 0.78 FKBP1A (0.38) HRH3
SCHEMBL14720876 0.78 FKBP1A (0.38) HRH3

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