SCHEMBL25048843

SCHEMBL25048843

CC(C)(C)OC(=O)N1CCCC2(CCCN2CC2CCC(n3ccc4c(Cl)ncnc43)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.39
▸ PRMT5 O14744 3/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ SRC P12931 3/20 0.34
▸ USP7 Q93009 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ UBA6 A0AVT1 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL23584748 0.94 GPR119 (0.40) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL25048811 0.94 GPR119 (0.40) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL25048435 0.87 JAK3 (0.40) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL23584762 0.85 CNR2 (0.39) GPR119PRMT5CNR2JAK3SRC
SCHEMBL25047504 0.85 JAK3 (0.40) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL23584763 0.85 PRMT5 (0.40) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL23584653 0.85 PRMT5 (0.49) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL25047907 0.83 GPR119 (0.39) GPR119PRMT5WDR77CNR2JAK3
SCHEMBL23584773 0.82 PRMT5 (0.51) PRMT5WDR77JAK3
SCHEMBL25048841 0.81 PRMT5 (0.36) GPR119PRMT5WDR77

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
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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