SCHEMBL21381945

SCHEMBL21381945

CS(=O)(=O)c1cccc([C@H](c2ccncc2)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 2/20 0.39
CACNA1B Q00975 1/20 0.39
NPY2R P49146 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKG1 Q13976 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
KCNK3 O14649 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL23211867 1.00 MGLL (0.40) MGLLDPP4DPP8DPP9DPP7
SCHEMBL21381659 0.89 CYP3A4 (0.42) DPP4DPP8DPP9DPP7NR1H2
SCHEMBL23212042 0.89 CYP3A4 (0.42) DPP4DPP8DPP9DPP7NR1H2
SCHEMBL23212010 0.86 GPR119 (0.56) NR1H2NR1H3GPR119
SCHEMBL30567962 0.86 GPR119 (0.56) NR1H2NR1H3GPR119
SCHEMBL22773285 0.81 NPY2R (0.46) MGLLDPP4DPP7NPY2R
SCHEMBL21381693 0.81 SLC6A4 (0.40)
SCHEMBL23211974 0.77 MGLL (0.65) MGLL
SCHEMBL21390485 0.77 MGLL (0.65) MGLL
SCHEMBL30149628 0.77 MGLL (0.65) MGLL

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-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 WO disclosed