SCHEMBL30409654

SCHEMBL30409654

CC(C)(C)OC(=O)N1CC2(CC(Sc3cccc(OC(F)(F)F)c3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 8/20 0.53
MGLL Q99685 8/20 0.53
FAAH O00519 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
LIPE Q05469 1/20 0.39
NOTUM Q6P988 1/20 0.38
PIM1 P11309 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
EPHX2 P34913 1/20 0.36
RHEB Q15382 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL30898354 1.00 ABHD6 (0.53) ABHD6MGLLFAAHGPR119LIPE
SCHEMBL1810911 0.84 GPR119 (0.50) MGLLGPR119LIPENOTUMPIM1
SCHEMBL29427036 0.80 MGLL (0.47) ABHD6MGLLFAAHGPR119LIPE
SCHEMBL30503545 0.80 MGLL (0.47) ABHD6MGLLFAAHGPR119LIPE
SCHEMBL29427132 0.80 MGLL (0.47) ABHD6MGLLFAAHGPR119LIPE
SCHEMBL26631491 0.80 MGLL (0.47) ABHD6MGLLFAAHGPR119LIPE
SCHEMBL30898351 0.79 ABHD6 (0.48) ABHD6MGLLGPR119LIPE
SCHEMBL30410188 0.79 ABHD6 (0.48) ABHD6MGLLGPR119LIPE
SCHEMBL25899063 0.76 GPR119 (0.45) MGLLGPR119LIPENOTUMPIM1
SCHEMBL25292247 0.76 MGLL (0.45) ABHD6MGLLGPR119LIPE

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-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed