SCHEMBL31323705

SCHEMBL31323705

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cccc3c(C4CCC(=O)NC4=O)noc13)CC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 15/20 0.47
CRBN Q96SW2 15/20 0.47
CYP11B2 P19099 1/20 0.44
BACE1 P56817 2/20 0.38
SCD5 Q86SK9 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL31323505 0.84 DDB1 (0.54) DDB1CRBNGPR119
SCHEMBL31727881 0.84 DDB1 (0.56) DDB1CRBNCYP11B2BACE1GPR119
SCHEMBL31323623 0.83 DDB1 (0.41) DDB1CRBN
SCHEMBL31323670 0.81 DDB1 (0.50) DDB1CRBN
SCHEMBL29321735 0.80 DDB1 (0.48) DDB1CRBN
SCHEMBL31443980 0.80 DDB1 (0.52) DDB1CRBNGPR119
SCHEMBL25604357 0.80 DDB1 (0.52) DDB1CRBNGPR119
SCHEMBL31323414 0.80 PDK4 (0.49) DDB1CRBN
SCHEMBL29324512 0.79 DDB1 (0.48) DDB1CRBN
SCHEMBL31443625 0.79 DDB1 (0.51) DDB1CRBNBACE1GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735452-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN Merck Patent GmbH (DE) 2026-05-06 EP disclosed
WO-2025006753-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN MERCK PATENT GMBH (DE) 2025-01-02 WO disclosed