SCHEMBL21722996

SCHEMBL21722996

FC(F)(F)[C@@H](NCC1CNC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
MAN2A1 Q16706 5/20 0.37
MAN1B1 Q9UKM7 5/20 0.37
CTSL P07711 3/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SIGMAR1 Q99720 1/20 0.33
MAN2B1 O00754 1/20 0.33
CTSB P07858 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL22462819 1.00 KDM1A (0.41) KDM1AMAOBMAN2A1MAN1B1CTSL
SCHEMBL22462873 0.86 SLC6A2 (0.38) CTSLCTSSCTSKSLC6A2SLC6A4
SCHEMBL22462955 0.85 CHRNB2 (0.36) SLC6A2SLC6A4
SCHEMBL22462816 0.83 SLC6A4 (0.42) SLC6A4
SCHEMBL22462907 0.80 SLC6A2 (0.37) KDM1AMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL28030149 0.78 MTOR (0.50) KDM1AMAOBMAN2A1MAN1B1SLC6A2
SCHEMBL22462886 0.72 RAB9A (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL21723010 0.72 RAB9A (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6703486 0.71 CTSL (0.41) CTSLCTSSCTSKSLC6A2SLC6A4
SCHEMBL22016791 0.71 CTSL (0.41) CTSLCTSSCTSKSLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed