SCHEMBL14720772

SCHEMBL14720772

OC1(Cc2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.37
SRD5A2 P31213 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.33

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
SCHEMBL14720504 0.97 HRH3 (0.35) HRH3SRD5A2POLBL3MBTL3
SCHEMBL14720505 0.97 HRH3 (0.35) HRH3SRD5A2POLBL3MBTL3
SCHEMBL14720667 0.93 SRD5A2 (0.34) HRH3SRD5A2POLB
SCHEMBL14720924 0.91 SRD5A2 (0.38) HRH3SRD5A2POLB
SCHEMBL14720798 0.89 SRD5A2 (0.32) SRD5A2
SCHEMBL14720674 0.87 SRD5A2 (0.30) SRD5A2
SCHEMBL14720789 0.86 HRH3 (0.37) HRH3SRD5A2POLBL3MBTL3
SCHEMBL14720612 0.86 HRH3 (0.35) HRH3SRD5A2POLBL3MBTL3
SCHEMBL14720727 0.85 HRH3 (0.36) HRH3
SCHEMBL14720597 0.84 POLB (0.38) HRH3SRD5A2POLB

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