SCHEMBL30352316

SCHEMBL30352316

[2H]N1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.61
▸ DDB1 Q16531 12/20 0.61
▸ ALDH1A1 P00352 1/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ IKZF3 Q9UKT9 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAP1LC3B Q9GZQ8 1/20 0.51
▸ IKZF1 Q13422 1/20 0.50
▸ IKZF2 Q9UKS7 1/20 0.50

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
SCHEMBL20046326 0.91 CRBN (0.64) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29370530 0.91 CRBN (0.64) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL29098477 0.89 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL30312945 0.89 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30351436 0.88 IKZF2 (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23374514 0.87 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29328152 0.87 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30984906 0.87 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22511605 0.86 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30798564 0.86 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1

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
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
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