SCHEMBL9640267

SCHEMBL9640267

OC(Cc1ccccc1)[C@H]1NCCS1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.41
FAAH O00519 1/20 0.37
CPA1 P15085 2/20 0.34
TRPA1 O75762 1/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL20833268 1.00 CYP1A2 (0.45) CYP1A2MAPTFAAHCPA1TRPA1
SCHEMBL9640676 1.00 CYP1A2 (0.45) CYP1A2MAPTFAAHCPA1TRPA1
SCHEMBL9709042 0.78 CYP1A2 (0.46) CYP1A2FAAHCPA1TRPA1CPB1
SCHEMBL9640670 0.77 CYP1A2 (0.39) CYP1A2MAPTFAAHSLC6A2SLC6A4
SCHEMBL22259891 0.70
SCHEMBL25339415 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL21103045 0.69 CYP1A2 (0.35) CYP1A2TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL22260324 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL20833040 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL22461896 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3

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
EP-0287042-B1 2-SULPHINYL-ACETYL-1,3-THIAZOLIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-16 EP disclosed
US-4849437-A 2-sulphinyl-acetyl-1,3-thiazolidines, their preparation and pharmaceutical compositions BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-07-18 US disclosed
EP-0287042-A1 2-Sulphinyl-acetyl-1,3-thiazolidines, their preparation and pharmaceutical compositions BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-10-19 EP disclosed