SCHEMBL6426759

SCHEMBL6426759

Cc1ccc(S(=O)(=O)n2ccc3ccc([C@@]4(O)CCN5CCC[C@H]5C4)cc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.68
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ADCY5 O95622 1/20 0.39
CCR1 P32246 3/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL7997497 0.77 HTR6 (0.46) HTR6KDM4EALDH1A1CCR1
SCHEMBL1898211 0.70 HTR6 (0.56) HTR6ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6426729 0.69 HTR6 (0.47) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL6426403 0.68 HTR6 (0.48) HTR6KDM4EALDH1A1CCR1DRD2
SCHEMBL6740915 0.68 HTR6 (0.48) HTR6KDM4EALDH1A1CCR1DRD2
SCHEMBL6426728 0.67 HTR6 (0.54) HTR6VEGFAEGLN1KDM4EALDH1A1
SCHEMBL10004175 0.66 HTR6 (0.53) HTR6SLC1A3SLC1A2SLC1A1HTR1A
SCHEMBL22980669 0.66 HTR6 (0.78) HTR6ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL22980773 0.65 HTR6 (0.58) HTR6SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL2573218 0.65 MEN1 (0.60) HTR6ALDH1A1SLC1A3SLC1A2SLC1A1

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
US-6897215-B1 Compounds having 5-HT6 receptor antagonist activity NPS ALLELIX CORP. (CA) 2005-05-24 US claimed
WO-2001032660-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR ANTAGONIST ACTIVITY NPS ALLELIX CORP. (US) 2001-05-10 WO claimed
US-6897215-B1 Compounds having 5-HT6 receptor antagonist activity NPS ALLELIX CORP. (CA) 2005-05-24 US disclosed