SCHEMBL21780374

SCHEMBL21780374

CN1C[C@H](NC(=O)OC(C)(C)C)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
BTK Q06187 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SSTR4 P31391 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD11B1 P28845 9/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL26650258 0.77 CTSK (0.43) CTSKBTKCA1CA2HSD11B1
SCHEMBL8272525 0.76 SSTR4 (0.39) CA1CA2SSTR4GAAEPHX2
SCHEMBL12814322 0.76 CTSK (0.54) CTSKBTKCA1CA2NFKB1
SCHEMBL19021203 0.75 BTK (0.49) CTSKBTKCA1CA2NFKB1
SCHEMBL14801762 0.75 BTK (0.49) CTSKBTKCA1CA2NFKB1
SCHEMBL17409347 0.75 BTK (0.49) CTSKBTKCA1CA2NFKB1
SCHEMBL26514289 0.75 CTSK (0.44) CTSKBTKCA1CA2NFKB1
SCHEMBL7554917 0.75 CTSK (0.41) CTSKBTKCA1CA2NFKB1
SCHEMBL23731495 0.74 CTSK (0.55) CTSKBTKCA1CA2NFKB1
SCHEMBL29042564 0.74 CTSK (0.49) CTSKBTKCA1CA2NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed