SCHEMBL22755032

SCHEMBL22755032

COc1ccc(C23CC2CN(C(=O)c2cn(C)c4c(C)c[nH]c(=O)c24)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HSD11B1 P28845 2/20 0.32
▸ PROKR1 Q8TCW9 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GFER P55789 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30

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
SCHEMBL22755344 0.92 MGLL (0.47) MGLLSLC6A4SLC6A2SLC6A3HSD11B1
SCHEMBL22729707 0.86 MGLL (0.40) MGLLKDM4EALOX15MAPK1SLC6A4
SCHEMBL22755304 0.85 MGLL (0.40) MGLL
SCHEMBL22755287 0.84 MGLL (0.38) MGLLHSD11B1
SCHEMBL22755295 0.84 MGLL (0.35) MGLLSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL22755289 0.83 MGLL (0.37) MGLLDRD2DRD3KCNH2
SCHEMBL22754986 0.83 MGLL (0.37) MGLLMAPK1HSD11B1HSD17B10DRD2
SCHEMBL22754903 0.83 MGLL (0.37) MGLLPROKR1ALDH1A1HPGDDRD2
SCHEMBL22754935 0.81 MGLL (0.35) MGLL
SCHEMBL22755139 0.80 MGLL (0.39) MGLLKDM4EALOX15MAPK1HSD11B1

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
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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