SCHEMBL6629351

SCHEMBL6629351

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
GRM2 Q14416 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
NAMPT P43490 2/20 0.42
KDM4A O75164 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL1169112 0.90 EPHX2 (0.49) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL6625230 0.88 NR1H4 (0.50) ROCK2ROCK1GRM2GAAL3MBTL1
SCHEMBL1205921 0.88 TSHR (0.47) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL19026301 0.87 CA1 (0.45) NAMPT
SCHEMBL8249395 0.87 GRM2 (0.53) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL30965061 0.86 TSHR (0.46) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL7930745 0.86 TSHR (0.46) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL28713540 0.86 L3MBTL1 (0.48) GRM2GAAL3MBTL1NAMPTKDM4A
SCHEMBL24999627 0.85 GRM2 (0.49) GRM2GAAL3MBTL1TSHRNAMPT
SCHEMBL29769069 0.85 GRM2 (0.49) GRM2GAAL3MBTL1TSHRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed