SCHEMBL25849283

SCHEMBL25849283

CCCNC(=O)N1CC(C)OC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.43
PDK1 Q15118 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL25853767 1.00 LMNA (0.48) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL13612906 0.85 KMT2A (0.55) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL25849507 0.81 LMNA (0.50) LMNAKMT2AALDH1A1HTTNPSR1
SCHEMBL25853769 0.79 NAMPT (0.41) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL30622645 0.77 ALDH1A1 (0.47) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL10575871 0.76 KMT2A (0.45) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL10355374 0.76 KMT2A (0.45) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL25853778 0.76 KMT2A (0.42) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL10569417 0.76 KMT2A (0.45) LMNAKMT2AALDH1A1PDK1HTT
SCHEMBL4089086 0.75 LMNA (0.51) LMNAKMT2AALDH1A1HTTNPSR1

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed