SCHEMBL20182405

SCHEMBL20182405

COc1ccc(CN(CCCC(=O)OC(C)(C)C)c2cc(C=O)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
BMP1 P13497 2/20 0.35
NR1D1 P20393 1/20 0.35
TSPO P30536 1/20 0.35
MAOB P27338 1/20 0.34
RXRA P19793 3/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CETP P11597 1/20 0.34
SLC2A1 P11166 1/20 0.33

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
SCHEMBL22409697 0.89 LTB4R2 (0.44) LTB4R2BMP1MAOBRXRACETP
SCHEMBL25802749 0.88 TSPO (0.46) NR1D1TSPO
SCHEMBL20137411 0.82 LTB4R2 (0.40) LTB4R2BMP1NR1D1RXRANR1H2
SCHEMBL25803948 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20150068 0.75 TSPO (0.39) NR1D1TSPO
SCHEMBL20137405 0.74 BCL2A1 (0.38) NR1D1
SCHEMBL20137115 0.73 LTB4R2 (0.44) LTB4R2BMP1MAOBCETP
SCHEMBL20182406 0.72 MGLL (0.53)
SCHEMBL20137037 0.71 KDM4E (0.38) RXRANR1H2NR1H3CETP
SCHEMBL31110049 0.71 DHFR (0.38) NR1D1TSPOCETP

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
EP-3541820-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2023-07-05 EP disclosed
WO-2018093949-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed