SCHEMBL25529790

SCHEMBL25529790

C[C@@H]1CN(CCCF)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SSTR4 P31391 3/20 0.35
SSTR1 P30872 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM1A O60341 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.33
USP30 Q70CQ3 1/20 0.33
BTK Q06187 1/20 0.33
KCNA3 P22001 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL25235574 1.00 CTSK (0.36) CTSKMAOAMAOBSSTR4SSTR1
SCHEMBL24037096 1.00 CTSK (0.36) CTSKMAOAMAOBSSTR4SSTR1
SCHEMBL24037072 0.88 USP30 (0.36) CTSKMAOAMAOBSSTR4HRH3
SCHEMBL31250954 0.85 CYP1A2 (0.36) CTSKMAOAMAOBHRH3BTK
SCHEMBL20089656 0.85 CTSK (0.45) CTSKCA1CA2DRD2BTK
SCHEMBL31250822 0.84 CA2 (0.36) CTSKMAOAMAOBHRH3NFKB1
SCHEMBL26619909 0.81 GBA1 (0.35) SSTR4SSTR1DRD2
SCHEMBL26619907 0.81 GBA1 (0.35) SSTR4SSTR1DRD2
SCHEMBL24036902 0.77 CTSK (0.53) CTSKCA1CA2DRD2BTK
SCHEMBL21584005 0.77 CTSK (0.53) CTSKCA1CA2DRD2BTK

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-2023083283-A1 DRUG COMBINATION FOR TREATING TUMOR, AND APPLICATION THEREOF 先声药业有限公司 2023-05-19 WO disclosed