SCHEMBL25945800

SCHEMBL25945800

C[C@@H]1CN(C2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP4K4 O95819 1/20 0.36
CTSK P43235 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
HPGD P15428 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL25949561 0.89 CHRM2 (0.44) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL27059386 0.89 CHRM2 (0.44) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL12450345 0.84 PSEN1 (0.40) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL25945745 0.80 MAP4K4 (0.38) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL17631441 0.78 USP2 (0.40) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL17631439 0.78 USP2 (0.40) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL30867754 0.78 SETD7 (0.39) CHRM2CHRM1CHRM3SETD7MAP4K4
SCHEMBL19986806 0.78 HSD17B10 (0.44) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL7879359 0.77 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL7879740 0.77 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ACHRM2

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-2023131118-A1 PROTEIN DEGRADERS DEVELOPED ON BASIS OF BCL-2 FAMILY PROTEIN LIGAND COMPOUNDS AND USE THEREOF 上海科技大学 2023-07-13 WO disclosed