SCHEMBL22755344

SCHEMBL22755344

Cc1ccc(C23CC2CN(C(=O)c2cn(C)c4c(C)c[nH]c(=O)c24)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.47
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SPR P35270 3/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL22755032 0.92 MGLL (0.40) MGLLSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22755287 0.90 MGLL (0.38) MGLLHSD11B1
SCHEMBL22755304 0.89 MGLL (0.40) MGLL
SCHEMBL22755295 0.88 MGLL (0.35) MGLLSLC6A2SLC6A4SLC6A3
SCHEMBL22754903 0.87 MGLL (0.37) MGLLKCNH2
SCHEMBL22754986 0.87 MGLL (0.37) MGLLKCNH2HSD11B1
SCHEMBL22729801 0.85 MGLL (0.47) MGLLSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22754935 0.84 MGLL (0.35) MGLLSPR
SCHEMBL22755031 0.84 MGLL (0.35) MGLLHSD11B1
SCHEMBL22755139 0.84 MGLL (0.39) MGLLSPRHSD11B1

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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