SCHEMBL14720667

SCHEMBL14720667

OC1(Cc2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 8/20 0.34

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 0.93 HRH3 (0.37) SRD5A2POLBHRH3
SCHEMBL14720505 0.90 HRH3 (0.35) SRD5A2POLBHRH3
SCHEMBL14720504 0.90 HRH3 (0.35) SRD5A2POLBHRH3
SCHEMBL14720924 0.86 SRD5A2 (0.38) SRD5A2POLBHRH3
SCHEMBL14720798 0.83 SRD5A2 (0.32) SRD5A2
SCHEMBL14720612 0.82 HRH3 (0.35) SRD5A2POLBHRH3
SCHEMBL14720789 0.82 HRH3 (0.37) SRD5A2POLBHRH3
SCHEMBL14720770 0.81 HRH3 (0.34) SRD5A2HRH3
SCHEMBL14720674 0.80 SRD5A2 (0.30) SRD5A2
SCHEMBL14720597 0.80 POLB (0.38) SRD5A2POLBHRH3

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