SCHEMBL6426728

SCHEMBL6426728

Cc1ccc(S(=O)(=O)n2ccc3ccc(C4CCC(O)CC5CCCCN54)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.54
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL10004175 0.75 HTR6 (0.53) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL7997494 0.72 OPRM1 (0.34) HTR6DRD2KDM4EALDH1A1MCOLN3
SCHEMBL21823899 0.71 SLC1A3 (0.47) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL1898211 0.70 HTR6 (0.56) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL4457178 0.68 HTR6 (0.52) HTR6ALDH1A1L3MBTL1
SCHEMBL2137879 0.67 SLC1A3 (0.46) HTR6SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL2137878 0.67 SLC1A3 (0.46) HTR6SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL6426729 0.67 HTR6 (0.47) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL18248238 0.67 RIPK1 (0.61) HTR6SLC1A3SLC1A2SLC1A1
SCHEMBL18936885 0.67 HTR6 (0.48) HTR6SLC1A3SLC1A2SLC1A1HTR1A

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
US-6897215-B1 Compounds having 5-HT6 receptor antagonist activity NPS ALLELIX CORP. (CA) 2005-05-24 US disclosed