SCHEMBL22556796

SCHEMBL22556796

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3c(=O)n(C4CCC(=O)NC4=O)cnc3c1)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 16/20 0.44
▸ CRBN Q96SW2 16/20 0.44
▸ IKZF3 Q9UKT9 4/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.41
▸ PARP1 P09874 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL31554634 0.85 DDB1 (0.49) DDB1CRBNIKZF3HCAR1CYP11B2
SCHEMBL22557583 0.84 CRBN (0.41) DDB1CRBNIKZF3
SCHEMBL31620115 0.83 DDB1 (0.56) DDB1CRBNIKZF3HCAR1GPR119
SCHEMBL22557788 0.81 CRBN (0.49) DDB1CRBNIKZF3
SCHEMBL20231710 0.79 CRBN (0.59) DDB1CRBNIKZF3
SCHEMBL29369875 0.79 CRBN (0.59) DDB1CRBNIKZF3
SCHEMBL29579621 0.78 DDB1 (0.48) DDB1CRBNGPR119
SCHEMBL22291548 0.77 CRBN (0.46) DDB1CRBNGPR119
SCHEMBL20234853 0.77 CRBN (0.52) DDB1CRBNIKZF3
SCHEMBL31727669 0.77 CRBN (0.52) DDB1CRBNIKZF3

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
CN-111825657-A Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof 成都海创药业有限公司 2020-10-27 — — CN disclosed
WO-2020211822-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF 成都海创药业有限公司 2020-10-22 — — WO disclosed
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