SCHEMBL21381647

SCHEMBL21381647

O=C(O)N1CC[C@@H](c2cc(Cl)cc(OCC(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SCN9A Q15858 1/20 0.41
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
SPR P35270 2/20 0.39
ADAM17 P78536 2/20 0.39
MGLL Q99685 1/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL23211945 1.00 DRD2 (0.42) DRD2DRD3SCN9AMAPTRAB9A
SCHEMBL21381778 0.86 LIPE (0.46) DRD2DRD3MAPTADAM17TP53
SCHEMBL23211834 0.86 LIPE (0.46) DRD2DRD3MAPTADAM17TP53
SCHEMBL829518 0.80 SPR (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1SPR
SCHEMBL21390454 0.79 MGLL (0.56) MGLL
SCHEMBL25057213 0.79 MGLL (0.56) MGLL
SCHEMBL21390560 0.79 MGLL (0.56) MGLL
SCHEMBL29849834 0.79 MGLL (0.56) MGLL
SCHEMBL21390455 0.79 MGLL (0.56) MGLL
SCHEMBL25057214 0.78 ADAM17 (0.37) DRD2DRD3SCN9AADAM17MGLL

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