SCHEMBL14720710

SCHEMBL14720710

C(=C1CCN(C2CCC2)CC1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14731055 0.97 HRH3 (0.53) HRH3HIF1AEPAS1L3MBTL3L3MBTL1
SCHEMBL14720575 0.88 L3MBTL3 (0.51) HRH3L3MBTL3L3MBTL1KDM4E
SCHEMBL14721980 0.84 HRH3 (0.43) HRH3L3MBTL3L3MBTL1KDM4ESMN1; SMN2
SCHEMBL14721065 0.83 HRH3 (0.41) HRH3L3MBTL3L3MBTL1KDM4E
SCHEMBL14720643 0.82 OPRM1 (0.41) HRH3L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL14731088 0.82 HRH3 (0.38) HRH3L3MBTL3L3MBTL1KDM4E
SCHEMBL14720854 0.82 HRH3 (0.40) HRH3L3MBTL1
SCHEMBL14721402 0.80 MAPT (0.44) HRH3L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL14721508 0.80 HRH3 (0.38) HRH3L3MBTL3
SCHEMBL14722442 0.79 GRM2 (0.47) HRH3L3MBTL3L3MBTL1SMN1; SMN2

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