SCHEMBL30700662

SCHEMBL30700662

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ DPP4 P27487 10/20 0.39
▸ DPP7 Q9UHL4 9/20 0.39
▸ KCNH2 Q12809 5/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ STS P08842 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ CACNA1B Q00975 2/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34

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
SCHEMBL30699969 0.87 KIT (0.45) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25324806 0.82 KIT (0.43) KITHDAC8DPP4DPP7KCNH2
SCHEMBL30700579 0.82 KIT (0.44) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25255089 0.78 HDAC8 (0.48) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25146288 0.77 HDAC8 (0.43) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25324840 0.76 HDAC8 (0.43) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25146054 0.76 MGLL (0.48) KITHDAC8DPP4DPP7KCNH2
SCHEMBL29497073 0.75 HDAC8 (0.47) KITHDAC8DPP4DPP7KCNH2
SCHEMBL25297738 0.75 HDAC8 (0.47) KITHDAC8DPP4DPP7KCNH2
SCHEMBL30700477 0.74 CCNK (0.41) —

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 3 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 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
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