SCHEMBL31323391

SCHEMBL31323391

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc(NC3CCC(=O)NC3=O)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 13/20 0.65
CRBN Q96SW2 13/20 0.65
GPR119 Q8TDV5 4/20 0.45
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL31323735 0.94 DDB1 (0.66) DDB1CRBNGPR119
SCHEMBL25024461 0.93 DDB1 (0.62) DDB1CRBNGPR119
SCHEMBL20595405 0.90 DDB1 (0.74) DDB1CRBNGPR119ALDH1A1
SCHEMBL30120110 0.90 DDB1 (0.74) DDB1CRBNGPR119ALDH1A1
SCHEMBL20595430 0.90 DDB1 (0.74) DDB1CRBNGPR119ALDH1A1
SCHEMBL30981204 0.88 DDB1 (0.53) DDB1CRBNGPR119
SCHEMBL29554651 0.88 DDB1 (0.68) DDB1CRBNGPR119ALDH1A1
SCHEMBL30981048 0.87 DDB1 (0.61) DDB1CRBNGPR119ALDH1A1
SCHEMBL30817363 0.87 DDB1 (0.69) DDB1CRBNGPR119ALDH1A1
SCHEMBL24125836 0.87 DDB1 (0.69) DDB1CRBNGPR119ALDH1A1

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 4 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
EP-4735438-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS Merck Patent GmbH (DE) 2026-05-06 EP disclosed
WO-2025006783-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS MERCK PATENT GMBH (DE) 2025-01-02 WO disclosed
WO-2025006753-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN MERCK PATENT GMBH (DE) 2025-01-02 WO disclosed