SCHEMBL22755287

SCHEMBL22755287

Cc1cccc(C23CC2CN(C(=O)c2cn(C)c4c(C)c[nH]c(=O)c24)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL22754903 0.91 MGLL (0.37) MGLLKMT2A
SCHEMBL22754986 0.91 MGLL (0.37) MGLLHSD11B1
SCHEMBL22755344 0.90 MGLL (0.47) MGLLHSD11B1
SCHEMBL22755217 0.89 MGLL (0.43) MGLLMEN1KMT2AGRIN2B
SCHEMBL22755289 0.88 MGLL (0.37) MGLL
SCHEMBL22755304 0.87 MGLL (0.40) MGLL
SCHEMBL22729492 0.86 MGLL (0.40) MGLLMEN1OPRM1OPRD1KMT2A
SCHEMBL29839364 0.86 MGLL (0.40) MGLLMEN1OPRM1OPRD1KMT2A
SCHEMBL22755295 0.86 MGLL (0.35) MGLL
SCHEMBL22755296 0.85 MGLL (0.40) MGLLMEN1OPRM1OPRD1KMT2A

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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