SCHEMBL30700689

SCHEMBL30700689

O=C(O)N1CC2(CCC(Cc3cccc(S(=O)(=O)C(F)(F)F)c3)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.36
TSHR P16473 1/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 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
SCHEMBL25295236 0.92 MGLL (0.36) RORCMGLLABHD6CYP2C19CYP2C9
SCHEMBL30700723 0.87 GPR119 (0.42) RORC
SCHEMBL31308665 0.87 GPR119 (0.42) RORC
SCHEMBL31308789 0.87 GPR119 (0.42) RORC
SCHEMBL30700768 0.87 GPR119 (0.42) RORC
SCHEMBL25145605 0.83 MGLL (0.40) RORCTSHRMGLL
SCHEMBL25145941 0.83 MGLL (0.40) RORCTSHRMGLL
SCHEMBL25145998 0.82 TSHR (0.35) TSHRLMNASMN1; SMN2NPSR1
SCHEMBL25146000 0.82 TSHR (0.35) TSHRLMNASMN1; SMN2NPSR1
SCHEMBL30700638 0.82 TSHR (0.35) TSHRLMNASMN1; SMN2NPSR1

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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed