SCHEMBL31399725

SCHEMBL31399725

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccnc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TGM2 P21980 10/20 0.47
▸ F13A1 P00488 8/20 0.47
▸ TGM1 P22735 5/20 0.47
▸ DTYMK P23919 2/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL31399717 0.81 CHRM1 (0.54) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL31399716 0.81 CHRM1 (0.54) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4266289 0.81 CNR1 (0.59) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2422976 0.81 PDGFRB (0.55) DTYMKGPR119GBA1POLBCHRM2
SCHEMBL31399710 0.81 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL17962295 0.80 COMT (0.65) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL31399732 0.78 ALDH1A1 (0.65) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL3709871 0.78 FAAH (0.60) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL31399689 0.77 TGM2 (0.44) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13239816 0.77 TGM2 (0.59) MAPTTGM2F13A1TGM1GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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