SCHEMBL30553203

SCHEMBL30553203

CS(=O)(=O)c1cc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5ncn[nH]5)C4)C2)C3)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.43
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL25325643 1.00 MGLL (0.43) MGLLCYP11B1CYP11B2GPR119
SCHEMBL25326309 0.93 MGLL (0.43) MGLLCYP11B1CYP11B2GPR119
SCHEMBL30699852 0.92 MGLL (0.42) MGLL
SCHEMBL25324927 0.87 MGLL (0.43) MGLL
SCHEMBL30700116 0.86 MGLL (0.42) MGLLGPR119
SCHEMBL25323946 0.84 MGLL (0.42) MGLLCYP11B1CYP11B2GPR119
SCHEMBL25324898 0.83 MGLL (0.39) MGLL
SCHEMBL25326643 0.80 MGLL (0.37) MGLL
SCHEMBL25326232 0.80 MGLL (0.44) MGLLCYP11B1CYP11B2
SCHEMBL30553221 0.80 MGLL (0.44) MGLLCYP11B1CYP11B2

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