SCHEMBL30699883

SCHEMBL30699883

CS(=O)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC[C@H](C(N)=O)C2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TNF P01375 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 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
SCHEMBL30700451 0.89 ALDH1A1 (0.39) CCR5ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL30700534 0.81 MGLL (0.39) KDM4ESMN1; SMN2LMNATNFSTAT3
SCHEMBL30700133 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2ATMKMT2AMEN1
SCHEMBL30699981 0.79 MGLL (0.37) ALDH1A1L3MBTL1SMN1; SMN2LMNATNF
SCHEMBL25251119 0.78 CCR5 (0.43) CCR5ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL30700467 0.78 GPBAR1 (0.40) CCR5GPBAR1CCR3GPR119
SCHEMBL30700479 0.77 MGLL (0.38) KDM4EMAPTALDH1A1LMNAATM
SCHEMBL30700219 0.76 DPP4 (0.33) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL25326672 0.76 CCR5 (0.38) CCR5GPBAR1CCR3GPR119
SCHEMBL30699862 0.76 MGLL (0.38) KDM4EALDH1A1LMNAKMT2AMEN1

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
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