SCHEMBL29561159

SCHEMBL29561159

CC(C)(C#Cc1c(F)cccc1CN1CCN(C(=O)O)CC1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.57
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ POLB P06746 2/20 0.41
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 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
SCHEMBL20137024 0.88 MGLL (0.75) MGLL
SCHEMBL28712188 0.83 MGLL (0.49) MGLLALDH1A1KDM4EPOLBMAPK1
SCHEMBL20168155 0.83 MGLL (0.48) MGLL
SCHEMBL20158368 0.76 MGLL (0.75) MGLL
SCHEMBL20137092 0.75 MGLL (0.33) MGLL
SCHEMBL20168001 0.73 MGLL (0.48) MGLL
SCHEMBL20137008 0.73 MGLL (1.00) MGLL
SCHEMBL20151762 0.72 MGLL (0.85) MGLLALDH1A1KDM4EPOLB
SCHEMBL2931365 0.67 ALDH1A1 (0.53) MGLLALDH1A1KDM4EPOLBATM
SCHEMBL20168177 0.66 MGLL (0.54) MGLLALDH1A1KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 — — CN disclosed
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