SCHEMBL21381670

SCHEMBL21381670

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.42
SLC6A3 Q01959 1/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
DPP7 Q9UHL4 7/20 0.39
DPP4 P27487 6/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP8 Q6V1X1 4/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KCNH2 Q12809 4/20 0.38
RPS6KB1 P23443 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL23211957 1.00 CACNA1B (0.42) CACNA1BSLC6A3CACNA2D1CACNB1CACNA1C
SCHEMBL23211960 0.88 EPHX2 (0.39) CACNA1BSLC6A3CACNA2D1CACNB1CACNA1C
SCHEMBL21381935 0.88 EPHX2 (0.39) CACNA1BSLC6A3CACNA2D1CACNB1CACNA1C
SCHEMBL21384762 0.85 MMP13 (0.49) DPP4KMT2A
SCHEMBL23211893 0.85 MMP13 (0.49) DPP4KMT2A
SCHEMBL23211958 0.81 CACNA1B (0.40) CACNA1BSLC6A3CACNA2D1CACNB1CACNA1C
SCHEMBL21381705 0.81 CACNA1B (0.40) CACNA1BSLC6A3DPP7DPP8KCNH2
SCHEMBL23212057 0.81 CACNA1B (0.43) CACNA1BCACNA2D1CACNB1CACNA1CDPP7
SCHEMBL4395343 0.81 IDO1 (0.47) CACNA1BCACNA2D1CACNB1CACNA1CDPP7
SCHEMBL29068375 0.80 CACNA1B (0.41) CACNA1BSLC6A3CACNA2D1CACNB1CACNA1C

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