SCHEMBL6605213

SCHEMBL6605213

C[C@@H](CCNC(=O)OC(C)(C)C)CC(=O)N(C1CCCNCC1O)S(=O)(=O)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.33
IDO1 P14902 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 5/20 0.32
FEN1 P39748 5/20 0.32
MALT1 Q9UDY8 1/20 0.32
PDK2 Q15119 1/20 0.31
SSTR4 P31391 1/20 0.31
CCR5 P51681 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL3955656 0.84 STS (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6610805 0.84 CD274 (0.33) KCNA5IDO1SLC6A2SLC6A4PDK2
SCHEMBL6605205 0.79 SLC6A2 (0.36) SLC6A2SLC6A4MEN1KMT2AALOX5AP
SCHEMBL6605208 0.79 SLC6A2 (0.36) SLC6A2SLC6A4MEN1KMT2AALOX5AP
SCHEMBL6214947 0.73 CTSD (0.37) KCNA5IDO1SLC6A2SLC6A4MEN1
SCHEMBL7562353 0.72 CYP3A4 (0.38)
SCHEMBL6214730 0.72 EPHX1 (0.40) MEN1KMT2A
SCHEMBL6590820 0.72 EPHX1 (0.40) MEN1KMT2A
SCHEMBL4763259 0.70 CTSD (0.44) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL6589700 0.69 SIGMAR1 (0.35) KCNA5SLC6A2SLC6A4MEN1KMT2A

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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed