SCHEMBL14722165

SCHEMBL14722165

O=C(O)N1CCC(=Cc2ccc(C[AsH2])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.51
SRD5A2 P31213 7/20 0.48
HDAC2 Q92769 1/20 0.39
OGA O60502 5/20 0.36
LSS P48449 1/20 0.36
MCHR1 Q99705 2/20 0.35

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
SCHEMBL14720576 0.86 SRD5A1 (0.52) SRD5A1SRD5A2HDAC2OGALSS
SCHEMBL14720706 0.85 SRD5A1 (0.51) SRD5A1SRD5A2HDAC2OGALSS
SCHEMBL22683282 0.84 SRD5A1 (0.50) SRD5A1SRD5A2HDAC2OGALSS
SCHEMBL14720788 0.80 SRD5A2 (0.48) SRD5A1SRD5A2MCHR1
SCHEMBL17750085 0.80 LSS (0.51) SRD5A1SRD5A2LSS
SCHEMBL19994676 0.80 SRD5A2 (0.48) SRD5A1SRD5A2OGA
SCHEMBL14720404 0.76 ALDH1A1 (0.46) SRD5A1SRD5A2HDAC2
SCHEMBL4980296 0.76 SRD5A2 (0.48) SRD5A1SRD5A2
SCHEMBL28098574 0.75 GSK3B (0.51) SRD5A1HDAC2
SCHEMBL14720416 0.75 SRD5A1 (0.48) SRD5A1SRD5A2HDAC2OGAMCHR1

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