SCHEMBL21381806

SCHEMBL21381806

CC(C)(C)OC(=O)N1CC(C=Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ RORC P51449 1/20 0.46
▸ MAOB P27338 2/20 0.44
▸ GPR119 Q8TDV5 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ STS P08842 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL30836040 1.00 MAPT (0.47) MAPTRORCMAOBGPR119CYP1A2
SCHEMBL31556546 0.91 MAOB (0.49) MAPTMAOBGPR119TACR1HDAC6
SCHEMBL30835968 0.91 MAOB (0.49) MAPTMAOBGPR119TACR1HDAC6
SCHEMBL30835970 0.91 MAOB (0.49) MAPTMAOBGPR119TACR1HDAC6
SCHEMBL14261790 0.88 MAOB (0.54) MAPTMAOBGPR119PTPN1STS
SCHEMBL20015332 0.88 MAOB (0.54) MAPTMAOBGPR119PTPN1STS
SCHEMBL21381646 0.88 MAOB (0.54) MAPTMAOBGPR119PTPN1STS
SCHEMBL30836022 0.87 MAPT (0.45) MAPTRORCMAOBGPR119CYP1A2
SCHEMBL27401519 0.86 MAOB (0.48) MAPTRORCMAOBGPR119TACR1
SCHEMBL30881248 0.86 MAPT (0.44) MAPTRORCMAOBGPR119CYP1A2

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
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