SCHEMBL23212939

SCHEMBL23212939

C=CCC(CC=C)c1ccc(F)cc1OCc1ccccc1.OCCC(CCO)c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PTGER1 P34995 2/20 0.35
SLC1A5 Q15758 1/20 0.35
LMNA P02545 2/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KDM1A O60341 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
PPIA P62937 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AKR1C3 P42330 1/20 0.35
LIPE Q05469 1/20 0.35
NPC1 O15118 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 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
SCHEMBL29619685 0.92 L3MBTL1 (0.46) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL23210028 0.92 L3MBTL1 (0.46) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL29619701 0.91 SLC6A9 (0.42) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL23209843 0.91 SLC6A9 (0.42) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL23210176 0.80 SLC6A9 (0.45) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL29619704 0.80 SLC6A9 (0.45) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL23212925 0.78 SLC6A9 (0.43) L3MBTL1SLC6A9SLC6A5PTGER1LMNA
SCHEMBL29619700 0.77 SGMS2 (0.48) L3MBTL1LMNAMAPTLIPE
SCHEMBL23210255 0.77 SGMS2 (0.48) L3MBTL1LMNAMAPTLIPE
SCHEMBL23295193 0.76 MRGPRX4 (0.41) L3MBTL1PTGER1LMNAKDM1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed