SCHEMBL20788696

SCHEMBL20788696

Cc1ccc(SN2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HCRTR1 O43613 2/20 0.45
▸ HCRTR2 O43614 2/20 0.45

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
SCHEMBL12621845 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1
SCHEMBL12624020 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL20787973 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12623988 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL13035869 0.79 L3MBTL1 (0.60) L3MBTL1ALDH1A1
SCHEMBL20365011 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12662903 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12624000 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL15423913 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12626029 0.75 ALDH1A1 (0.60) L3MBTL1ALDH1A1

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-10222368-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2019-03-05 — — US disclosed
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