SCHEMBL21384745

SCHEMBL21384745

CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
BCL9 O00512 10/20 0.51
CTNNB1 P35222 10/20 0.51
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
LIPE Q05469 1/20 0.47
USP30 Q70CQ3 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
MGLL Q99685 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL30567993 1.00 PDE4B (0.53) PDE4BBCL9CTNNB1TP53MAPT
SCHEMBL30567996 1.00 PDE4B (0.53) PDE4BBCL9CTNNB1TP53MAPT
SCHEMBL23212068 1.00 PDE4B (0.53) PDE4BBCL9CTNNB1TP53MAPT
SCHEMBL25864470 0.93 GPR119 (0.52) PDE4BBCL9CTNNB1TP53MAPT
SCHEMBL29849889 0.91 RORC (0.48) PDE4BBCL9CTNNB1GPR119LIPE
SCHEMBL20757253 0.91 RORC (0.48) PDE4BBCL9CTNNB1GPR119LIPE
SCHEMBL23211941 0.86 GPR119 (0.56) PDE4BTP53MAPTGPR119LIPE
SCHEMBL30272551 0.85 LIPE (0.49) BCL9CTNNB1GPR119LIPEUSP30
SCHEMBL30272555 0.85 LIPE (0.49) BCL9CTNNB1GPR119LIPEUSP30
SCHEMBL30910405 0.85 LIPE (0.49) BCL9CTNNB1GPR119LIPEUSP30

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