SCHEMBL22755296

SCHEMBL22755296

Cc1cccc(C23CC2CN(C(=O)c2c[nH]c4c(C)c[nH]c(=O)c24)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.40
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ BTK Q06187 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ SPR P35270 1/20 0.31

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
SCHEMBL22755093 0.92 MGLL (0.42) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22754980 0.91 MGLL (0.39) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22754906 0.91 MGLL (0.39) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22755029 0.86 MGLL (0.42) MGLL
SCHEMBL22755305 0.86 MGLL (0.42) MGLL
SCHEMBL22755287 0.85 MGLL (0.38) MGLLHSD11B1MEN1OPRM1OPRD1
SCHEMBL22754825 0.85 MGLL (0.44) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22755286 0.85 MGLL (0.36) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22754925 0.85 MGLL (0.41) MGLLALDH1A1HPGDTSHRHTT
SCHEMBL22755234 0.84 MGLL (0.39) MGLLALDH1A1HPGDTSHRHTT

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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