SCHEMBL29619701

SCHEMBL29619701

OCCC(CCO)c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
LIPE Q05469 1/20 0.41
PTGER1 P34995 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
LMNA P02545 3/20 0.40
KDM1A O60341 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
NPC1 O15118 1/20 0.40
PPIA P62937 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL23209843 1.00 SLC6A9 (0.42) SLC6A9SLC6A5L3MBTL1LIPEPTGER1
SCHEMBL23212939 0.91 L3MBTL1 (0.40) SLC6A9SLC6A5L3MBTL1LIPEPTGER1
SCHEMBL23210176 0.89 SLC6A9 (0.45) SLC6A9SLC6A5L3MBTL1LIPEPTGER1
SCHEMBL29619704 0.89 SLC6A9 (0.45) SLC6A9SLC6A5L3MBTL1LIPEPTGER1
SCHEMBL23212925 0.86 SLC6A9 (0.43) SLC6A9SLC6A5L3MBTL1LIPEPTGER1
SCHEMBL29619700 0.85 SGMS2 (0.48) L3MBTL1LIPEMAPTMAPK1TDP1
SCHEMBL23210255 0.85 SGMS2 (0.48) L3MBTL1LIPEMAPTMAPK1TDP1
SCHEMBL29619690 0.84 MRGPRX4 (0.41) L3MBTL1LIPEPTGER1MAPTMAPK1
SCHEMBL23295193 0.84 MRGPRX4 (0.41) L3MBTL1LIPEPTGER1MAPTMAPK1
SCHEMBL31357638 0.83 SLC6A9 (0.40) SLC6A9SLC6A5L3MBTL1LIPEPTGER1

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
CN-119390705-A 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2025-02-07 CN disclosed
CN-114555606-B 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-10-01 CN disclosed
CN-114555592-B 2-Azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-09-06 CN disclosed
CN-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed