SCHEMBL29217082

SCHEMBL29217082

CC(C)(C)OC(=O)C[C@@H]1CC(N)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD17B10 Q99714 1/20 0.35
PDE8B O95263 1/20 0.35
NR1H2 P55055 1/20 0.35
ATM Q13315 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL24876034 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL29217081 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL29217067 0.89 TACR1 (0.34) CHRM2CHRM1CHRM3HSD17B10DPP4
SCHEMBL21748842 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL38657326 0.86 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL13845953 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL24024276 0.84 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL23950733 0.84 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL23950880 0.83 ATM (0.39) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL24876783 0.81 MEN1 (0.41) CHRM2CHRM1CHRM3HSD17B10PDE8B

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
CN-117881680-A Tricyclic compounds as KRAS inhibitors 因赛特公司 2024-04-12 CN disclosed