SCHEMBL31403233

SCHEMBL31403233

CC(C)(C)OC(=O)N1CC2(CCC(Oc3ccc(Br)cc3C#N)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.42
GPR119 Q8TDV5 4/20 0.42
AAK1 Q2M2I8 2/20 0.41
PDE4B Q07343 4/20 0.40
IKBKE Q14164 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
RET P07949 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL1667168 0.87 GPR119 (0.55) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL17631454 0.84 AAK1 (0.46) TBK1GPR119AAK1PDE4B
SCHEMBL18348317 0.83 TBK1 (0.52) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL17645008 0.83 AAK1 (0.45) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL31402999 0.81 RET (0.48) GPR119RET
SCHEMBL17630409 0.79 TBK1 (0.44) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL17630410 0.79 TBK1 (0.44) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL2277773 0.78 USP30 (0.44) TBK1GPR119AAK1PDE4B
SCHEMBL17645042 0.77 TBK1 (0.43) TBK1GPR119AAK1PDE4BIKBKE
SCHEMBL14873109 0.77 GPR119 (0.45) TBK1GPR119AAK1

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-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed