SCHEMBL14720534

SCHEMBL14720534

OCC(c1ccc(C=C2CCN(C3CCC3)CC2)cc1)C1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.34
HRH3 Q9Y5N1 4/20 0.32
MCHR1 Q99705 1/20 0.31
EZH2 Q15910 3/20 0.30

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
SCHEMBL14720476 0.94 SRD5A2 (0.35) SRD5A2HRH3MCHR1
SCHEMBL14720897 0.88 SRD5A2 (0.38) SRD5A2HRH3MCHR1
SCHEMBL14721353 0.87 SRD5A2 (0.42) SRD5A2HRH3MCHR1
SCHEMBL14720831 0.81 HRH3 (0.42) SRD5A2HRH3MCHR1
SCHEMBL14722982 0.81 SRD5A2 (0.38) SRD5A2HRH3
SCHEMBL14720532 0.79 HRH3 (0.36) SRD5A2HRH3MCHR1
SCHEMBL14720475 0.76 SRD5A2 (0.39) SRD5A2HRH3
SCHEMBL14720591 0.73 SRD5A2 (0.44) SRD5A2HRH3MCHR1
SCHEMBL14720522 0.73 HRH3 (0.39) SRD5A2HRH3MCHR1
SCHEMBL14721067 0.72 SRD5A2 (0.42) SRD5A2HRH3

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 1 patent. 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 disclosed