SCHEMBL30700157

SCHEMBL30700157

COc1cc(COC2CCN(C(=O)N3CC[C@H](c4ncn[nH]4)C3)CC2)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PDE4B Q07343 5/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CDK8 P49336 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
SCHEMBL30699910 0.87 FASN (0.41) CHEK1RET
SCHEMBL25323942 0.75 HTR2B (0.35) HTR2BCHEK1AURKAPRKD3PAK4
SCHEMBL30700226 0.74 MGLL (0.35) NTRK1NTRK3NTRK2BTKMGLL
SCHEMBL27292502 0.73 MGLL (0.64) MGLL
SCHEMBL30700164 0.73 MGLL (0.64) MGLL
SCHEMBL30700064 0.73 EPHX2 (0.40) MGLL
SCHEMBL30700335 0.72 MGLL (0.44) PIM1MGLL
SCHEMBL30699959 0.71 ENPP2 (0.39) HTR2BMGLL
SCHEMBL30700736 0.70 HCRTR2 (0.35) HTR2B
SCHEMBL30700495 0.67 MGLL (0.45) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 — — EP claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
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
Send feedback