SCHEMBL30700573

SCHEMBL30700573

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ ATXN2 Q99700 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MGLL Q99685 2/20 0.40
▸ PIK3CA P42336 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CYP3A4 P08684 7/20 0.38
▸ CYP2D6 P10635 7/20 0.38
▸ TSHR P16473 7/20 0.38
▸ USP2 O75604 5/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL31308016 1.00 ENPP2 (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL31307999 1.00 ENPP2 (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700569 0.94 FAAH (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700333 0.94 FAAH (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700197 0.94 FAAH (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700444 0.94 MGLL (0.41) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700204 0.86 MGLL (0.39) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700223 0.86 MGLL (0.39) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL30700195 0.82 ENPP2 (0.35) ENPP2ATXN2MGLL
SCHEMBL30700261 0.82 ENPP2 (0.35) ENPP2ATXN2MGLL

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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