SCHEMBL24207307

SCHEMBL24207307

O=CCCCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.67
▸ DDB1 Q16531 10/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ IKZF3 Q9UKT9 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ EGFR P00533 3/20 0.48
▸ BRD9 Q9H8M2 1/20 0.48
▸ ERBB2 P04626 1/20 0.46

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
SCHEMBL29841510 1.00 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31547274 0.99 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31628404 0.99 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25430131 0.97 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31547292 0.97 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22291244 0.88 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31547314 0.88 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23173959 0.88 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL31491158 0.88 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31622233 0.88 CRBN (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116934-A1 KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-06-29 — — WO disclosed
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 — — WO disclosed
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