SCHEMBL25647346

SCHEMBL25647346

O=C1CCC(N2C(=O)c3cccc(CN4CCN(c5ccc(Br)cc5)CC4)c3C2=O)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.61
▸ DDB1 Q16531 17/20 0.61
▸ IKZF3 Q9UKT9 5/20 0.61
▸ TNF P01375 1/20 0.57
▸ IL1B P01584 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ IKZF1 Q13422 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ BCL2L11 O43521 1/20 0.49
▸ BCL2 P10415 1/20 0.49
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL25235036 0.92 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25272452 0.84 DDB1 (0.63) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25281672 0.84 CRBN (0.66) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30830958 0.83 DDB1 (0.64) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25225393 0.83 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29218135 0.83 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29218133 0.83 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25278392 0.83 DDB1 (0.63) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25233598 0.82 DDB1 (0.64) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL23301271 0.82 DDB1 (0.63) CRBNDDB1IKZF3TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446324-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2024-10-16 — — EP claimed
CN-116239566-A E3 ubiquitin ligase ligand compound, protein degradation agent developed based on ligand compound and application thereof 标新生物医药科技(上海)有限公司 2023-06-09 — — CN claimed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
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