SCHEMBL30700096

SCHEMBL30700096

O=C(N1CC[C@H](c2ccn[nH]2)C1)N1CC2(CC(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.39
▸ VNN1 O95497 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CCR4 P51679 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PRCP P42785 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 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
SCHEMBL30700361 0.87 MGLL (0.38) MGLLHSD11B1CCNT1CDK9CCR4
SCHEMBL30700887 0.85 MGLL (0.40) MGLLCCR4HTR2AHTR2CMAPT
SCHEMBL30699859 0.80 HTR2A (0.37) MGLLCCR4HTR2AHTR2CGRIN2B
SCHEMBL30700294 0.79 MGLL (0.40) MGLLCCR4HTR2AHTR2CMAPT
SCHEMBL30699913 0.78 MGLL (0.41) MGLLVNN1HSD11B1CCNT1CDK9
SCHEMBL23150485 0.78 MGLL (0.57) MGLL
SCHEMBL23150483 0.78 MGLL (0.57) MGLL
SCHEMBL23850254 0.78 MGLL (0.57) MGLL
SCHEMBL23181589 0.78 MGLL (0.57) MGLL
SCHEMBL30700519 0.77 MGLL (0.35) MGLLCCR4HTR2AHTR2C

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