SCHEMBL20365037

SCHEMBL20365037

CCc1ccc(S(=O)(=O)N2CCOC23CCN(CC(=O)O)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.50
▸ HCRTR2 O43614 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HSD11B1 P28845 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL12623977 0.87 HCRTR1 (0.51) HCRTR1HCRTR2L3MBTL1ALDH1A1LMNA
SCHEMBL12624009 0.83 L3MBTL1 (0.48) HCRTR1HCRTR2L3MBTL1ALDH1A1LMNA
SCHEMBL15693683 0.81 HCRTR2 (0.47) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12627122 0.81 L3MBTL1 (0.53) HCRTR1HCRTR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL21202626 0.81 HCRTR1 (0.49) HCRTR1HCRTR2L3MBTL1ALDH1A1LMNA
SCHEMBL12627108 0.80 HCRTR1 (0.48) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12626027 0.80 ALDH1A1 (0.49) HCRTR1HCRTR2L3MBTL1ALDH1A1LMNA
SCHEMBL12623975 0.79 ALDH1A1 (0.51) HCRTR1HCRTR2L3MBTL1ALDH1A1LMNA
SCHEMBL12622076 0.78 L3MBTL1 (0.52) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL20019664 0.78 L3MBTL1 (0.48) L3MBTL1ALDH1A1HSD11B1

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
EP-2872899-B1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT PAIN THERAPEUTICS INC (US) 2018-07-11 — — EP disclosed
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