SCHEMBL26619952

SCHEMBL26619952

O=C(Nc1cccnn1)[C@H]1CC12CCN(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.39
PDF Q9HBH1 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
NAMPT P43490 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
FFAR2 O15552 1/20 0.36
MAP4K1 Q92918 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL31195181 1.00 FAAH (0.39) FAAHPDFJAK2JAK1NAMPT
SCHEMBL24433402 0.85 JAK2 (0.51) JAK2JAK1NAMPT
SCHEMBL30522718 0.85 JAK2 (0.51) JAK2JAK1NAMPT
SCHEMBL27008613 0.84 HCRTR2 (0.50) HCRTR1HCRTR2ALDH1A1
SCHEMBL27008487 0.84 HCRTR2 (0.50) HCRTR1HCRTR2ALDH1A1
SCHEMBL24433506 0.82 MGLL (0.44)
SCHEMBL29657032 0.82 MGLL (0.44)
SCHEMBL24433420 0.82 MGLL (0.44)
SCHEMBL24433504 0.82 MGLL (0.44)
SCHEMBL24433403 0.81 MAP4K1 (0.41) FAAHPDFJAK2FFAR2MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119137114-A Crystalline forms of (S) -1- (pyridazin-3-ylcarbamoyl) -6-azaspiro [2.5] octane-6-carboxylic acid 1, 3-hexafluoropropan-2-ester as monoacylglycerol lipase inhibitors H.隆德贝克有限公司 2024-12-13 CN claimed
WO-2023213854-A1 CRYSTALLINE FORM OF 1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL (S)-1-(PYRIDAZIN-3-YLCARBAMOYL)-6 AZASPIRO[2.5]OCTANE-6-CARBOXYLATE AS MONOACYLGLYCEROL LIPASE INHIBITOR. H. LUNDBECK A/S (DK) 2023-11-09 WO claimed
CN-119137114-A Crystalline forms of (S) -1- (pyridazin-3-ylcarbamoyl) -6-azaspiro [2.5] octane-6-carboxylic acid 1, 3-hexafluoropropan-2-ester as monoacylglycerol lipase inhibitors H.隆德贝克有限公司 2024-12-13 CN disclosed
CN-119137114-A Crystalline forms of (S) -1- (pyridazin-3-ylcarbamoyl) -6-azaspiro [2.5] octane-6-carboxylic acid 1, 3-hexafluoropropan-2-ester as monoacylglycerol lipase inhibitors H.隆德贝克有限公司 2024-12-13 CN disclosed
CN-119137114-A Crystalline forms of (S) -1- (pyridazin-3-ylcarbamoyl) -6-azaspiro [2.5] octane-6-carboxylic acid 1, 3-hexafluoropropan-2-ester as monoacylglycerol lipase inhibitors H.隆德贝克有限公司 2024-12-13 CN disclosed
WO-2023213854-A1 CRYSTALLINE FORM OF 1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL (S)-1-(PYRIDAZIN-3-YLCARBAMOYL)-6 AZASPIRO[2.5]OCTANE-6-CARBOXYLATE AS MONOACYLGLYCEROL LIPASE INHIBITOR. H. LUNDBECK A/S (DK) 2023-11-09 WO disclosed