SCHEMBL21384739

SCHEMBL21384739

CC(C)(C)OC(=O)N1CCC(C[C@@H](OCC(F)(F)F)c2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MMP13 P45452 1/20 0.43
GPR119 Q8TDV5 9/20 0.42
DPP4 P27487 1/20 0.41
BRD3 Q15059 1/20 0.41
POLB P06746 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL21381705 0.86 CACNA1B (0.40)
SCHEMBL23211893 0.83 MMP13 (0.49) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21384762 0.83 MMP13 (0.49) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21381686 0.82 MEN1 (0.49) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21381624 0.80 MEN1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7502246 0.78 MEN1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7502242 0.78 MEN1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL23211714 0.77 MMP13 (0.48) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21381711 0.77 MEN1 (0.48) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7493221 0.77 MEN1 (0.48) MEN1KMT2ANPC1ALDH1A1MAPT

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