SCHEMBL8554595

SCHEMBL8554595

CC(C)(C)OC(=O)NC(=O)[C@@H]1CNCCN1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 2/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
BTK Q06187 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN5A Q14524 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
EPHX1 P07099 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
SCHEMBL8554345 1.00 NFKB1 (0.35) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL6872992 0.83 PRCP (0.39) NFKB1NFKB2RELAGAABTK
SCHEMBL3597014 0.83 PRCP (0.39) NFKB1NFKB2RELAGAABTK
SCHEMBL7299117 0.79 PRCP (0.43) NFKB1NFKB2RELAGAABTK
SCHEMBL373560 0.79 PRCP (0.43) NFKB1NFKB2RELAGAABTK
SCHEMBL28232408 0.79 PRCP (0.43) NFKB1NFKB2RELAGAABTK
SCHEMBL28564962 0.78 MAPK1 (0.33) MAPK1
SCHEMBL20553528 0.78 MAPK1 (0.33) MAPK1
SCHEMBL21528012 0.78 MAPK1 (0.33) MAPK1
SCHEMBL4630085 0.78 SCN9A (0.39) NFKB1NFKB2RELAGAAL3MBTL1

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-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP disclosed