SCHEMBL7479400

SCHEMBL7479400

COc1ccc2c(c1)SC[C@@](CC(O)CC(F)(F)F)(CC(F)(F)F)N[C@H]2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.33
SLC10A2 Q12908 2/20 0.31
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2B Q13224 1/20 0.30

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
SCHEMBL7479396 1.00 SLC6A9 (0.33) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8206173 0.93 SLC10A2 (0.35) SLC6A9SLC10A2
SCHEMBL7484166 0.88 MEN1 (0.38) SLC10A2MEN1KMT2A
SCHEMBL7484164 0.88 MEN1 (0.38) SLC10A2MEN1KMT2A
SCHEMBL7478280 0.86 SLC10A2 (0.35) SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL7478273 0.86 SLC10A2 (0.35) SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8693323 0.84 SLC10A2 (0.37) SLC10A2
SCHEMBL8798027 0.84 SLC10A2 (0.37) SLC10A2
SCHEMBL8693241 0.82 SLC6A9 (0.36) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8798356 0.82 SLC6A9 (0.36) SLC6A9SLC10A2NQO2MTNR1AMTNR1B

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-0683774-B1 HYPOLIPIDAEMIC COMPOUNDS WELLCOME FOUND (GB) 2002-10-09 EP disclosed
US-5723458-A 1,4-BENZOTHIAZEPINES GLAXO WELLCOME INC. (US) 1998-03-03 US disclosed
WO-1994018184-A1 HYPOLIPIDAEMIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO disclosed