SCHEMBL20910409

SCHEMBL20910409

CC(NC(=O)CNC(=O)OC(C)(C)C)c1ncc(-c2ccccc2F)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.41
SCN9A Q15858 1/20 0.39
HDAC3 O15379 4/20 0.38
NCOR1 O75376 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 3/20 0.38
IDO1 P14902 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
MET P08581 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK2 Q15119 1/20 0.35
BCHE P06276 1/20 0.35
KCNA5 P22460 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL20900043 0.81 SSTR3 (0.44) SSTR3SCN9ACTSSCTSK
SCHEMBL20900048 0.81 SSTR3 (0.44) SSTR3SCN9ACTSSCTSK
SCHEMBL20900030 0.81 SSTR3 (0.44) SSTR3SCN9ACTSSCTSK
SCHEMBL20910365 0.78 HDAC3 (0.51) HDAC3NCOR1HDAC1HDAC2HDAC8
SCHEMBL1351513 0.78 SSTR3 (0.43) SSTR3SCN9AHDAC3NCOR1HDAC1
SCHEMBL1351515 0.78 SSTR3 (0.43) SSTR3SCN9AHDAC3NCOR1HDAC1
SCHEMBL23788904 0.77 SSTR3 (0.49) SSTR3SCN9AHDAC3NCOR1HDAC1
SCHEMBL20910421 0.77 KLK7 (0.46) SSTR3CTSSCTSK
SCHEMBL29473667 0.77 KLK7 (0.46) SSTR3CTSSCTSK
SCHEMBL18481909 0.74 SSTR3 (0.60) SSTR3IDO1CTSK

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
WO-2019075252-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS CORNELL UNIVERSITY (US) 2019-04-18 WO disclosed