SCHEMBL30984829

SCHEMBL30984829

CC(C)(C)OC(=O)N1CCC2(CCC(CN3CCC(n4cc([N+](=O)[O-])cn4)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.45
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 5/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ MET P08581 2/20 0.36
▸ CCR5 P51681 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL30984784 0.86 DDB1 (0.45) GPR119DDB1CRBNNAMPTCCNC
SCHEMBL1558660 0.85 DDB1 (0.52) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL31306767 0.84 ALDH1A1 (0.47) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL30955791 0.81 DDB1 (0.49) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL9951949 0.81 DDB1 (0.49) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL30955756 0.81 DDB1 (0.49) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL23612193 0.80 DDB1 (0.51) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL25904916 0.80 GPR119 (0.40) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL18383140 0.79 ALDH1A1 (0.46) GPR119DDB1CRBNALDH1A1LMNA
SCHEMBL15192197 0.79 ALDH1A1 (0.46) GPR119DDB1CRBNALDH1A1LMNA

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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