SCHEMBL7209152

SCHEMBL7209152

O=C(O)CNCCCC(Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A9 P48067 2/20 0.47
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
LTA4H P09960 1/20 0.39
FFAR1 O14842 1/20 0.39
TBXAS1 P24557 1/20 0.38

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
SCHEMBL6826317 0.90 SLC6A4 (0.50) SLC6A4SLC6A9ALDH1A1TBXAS1
SCHEMBL6826141 0.89 SLC6A4 (0.51) SLC6A4SLC6A9ALDH1A1LTA4H
SCHEMBL6826714 0.89 SLC6A9 (0.48) SLC6A4SLC6A9ALDH1A1TBXAS1
SCHEMBL6828473 0.89 SLC6A4 (0.43) SLC6A4SLC6A9
SCHEMBL6566281 0.89 SLC6A4 (0.55) SLC6A4SLC6A9HTR1APPARGPPARA
SCHEMBL6258432 0.84 SLC6A4 (0.50) SLC6A4SLC6A9ALDH1A1HTR1A
SCHEMBL6826663 0.84 MTNR1B (0.45) SLC6A4SLC6A9FFAR1
SCHEMBL7208064 0.82 SLC6A4 (0.46) SLC6A4SLC6A9PPARGPPARALTA4H
SCHEMBL6566442 0.79 FNTA (0.47) SLC6A4SLC6A9LTA4HFFAR1
SCHEMBL7213079 0.78 SLC6A4 (0.46) SLC6A4SLC6A9ALDH1A1PPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294677-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE Pfizer Products Inc. (US) 2003-03-26 EP disclosed
WO-2002000602-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed