SCHEMBL27466391

SCHEMBL27466391

CN1C(=O)CCC(N2C(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C2O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.45
▸ GPR119 Q8TDV5 9/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ RET P07949 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL21907830 0.84 GPR119 (0.45) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL30694690 0.84 GPR119 (0.45) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL24299447 0.84 CRBN (0.55) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL31047986 0.82 CRBN (0.45) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL20234679 0.82 CRBN (0.45) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL24299444 0.78 CRBN (0.54) PDK2GPR119MAPTALDH1A1LMNA
SCHEMBL24481058 0.78 CRBN (0.48) PDK2GPR119DDB1CRBN
SCHEMBL22951135 0.77 CRBN (0.48) PDK2GPR119DDB1CRBN
SCHEMBL24501045 0.76 IRAK1 (0.53) GPR119CRBN
SCHEMBL30962354 0.76 IRAK1 (0.47) PDK2GPR119CRBN

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-2024127022-A1 HETEROCYCLIC COMPOUNDS TARGETING THE NUDT5 PROTEIN OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-06-20 — — WO disclosed
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