SCHEMBL9052992

SCHEMBL9052992

CC(C)(C)OC(=O)NC1CNCC1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
GAA P10253 2/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.37
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL8863460 1.00 BTK (0.40) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL9053257 1.00 BTK (0.40) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL2183149 1.00 BTK (0.40) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL8561700 0.94 GAA (0.43) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL8562006 0.94 BTK (0.44) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL8563555 0.93 GAA (0.46) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL15886867 0.90 BTK (0.38) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL18399601 0.90 BTK (0.38) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL21191759 0.89 BTK (0.42) BTKGAAEPHX1EPHX2NFKB1
SCHEMBL14367716 0.89 BTK (0.39) BTKGAAEPHX1EPHX2NFKB1

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-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed