SCHEMBL4556164

SCHEMBL4556164

CC(C)(C)OC(=O)NC1CCN(CCO)CC1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
KCNA3 P22001 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SSTR4 P31391 4/20 0.37
SSTR1 P30872 1/20 0.37
DRD2 P14416 2/20 0.36
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
USP30 Q70CQ3 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CCR5 P51681 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 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
SCHEMBL3354937 0.83 CTSK (0.36) CTSKKCNA3CA1CA2SSTR4
SCHEMBL3352854 0.83 CTSK (0.36) CTSKKCNA3CA1CA2SSTR4
SCHEMBL3357087 0.83 CTSK (0.36) CTSKKCNA3CA1CA2SSTR4
SCHEMBL13387530 0.83 CTSK (0.36) CTSKKCNA3CA1CA2SSTR4
SCHEMBL28826192 0.82 SSTR4 (0.47) CTSKCA1CA2SSTR4SSTR1
SCHEMBL18530346 0.81 CTSK (0.57) CTSKKCNA3CA1CA2DRD2
SCHEMBL13583572 0.81 CTSK (0.57) CTSKKCNA3CA1CA2DRD2
SCHEMBL13583571 0.81 CTSK (0.57) CTSKKCNA3CA1CA2DRD2
SCHEMBL3355159 0.79 GSK3B (0.35) SSTR4SSTR1
SCHEMBL17185074 0.79 KMT2A (0.53) KCNA3SSTR4SSTR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611038-B 2-quinolinone and 2-quinoxalinone-derivatives and their use as antibacterial agents ASTRAZENECA AB 2012-06-13 CN disclosed
CN-101611038-A 2-quinolinone and 2-quinoxalinone-derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed