SCHEMBL29346538

SCHEMBL29346538

O=C1CCCC(n2c(=O)c(=O)[nH]c3ccccc32)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.52
▸ DDB1 Q16531 11/20 0.52
▸ OPRM1 P35372 6/20 0.52
▸ OPRD1 P41143 5/20 0.52
▸ OPRK1 P41145 5/20 0.52
▸ OPRL1 P41146 5/20 0.52
▸ IKZF3 Q9UKT9 2/20 0.42
▸ CHRM2 P08172 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL29346418 0.87 DDB1 (0.55) CRBNDDB1OPRM1OPRD1OPRK1
SCHEMBL29346537 0.81 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL20812485 0.79 CRBN (0.65) CRBNDDB1OPRM1IKZF3CHRM2
SCHEMBL31730111 0.78 CRBN (0.66) CRBNDDB1OPRM1IKZF3CHRM2
SCHEMBL29347351 0.78 CRBN (0.66) CRBNDDB1OPRM1IKZF3CHRM2
SCHEMBL2217118 0.74 OPRM1 (0.74) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL29346395 0.74 CRBN (0.85) CRBNDDB1OPRM1IKZF3CHRM2
SCHEMBL30910142 0.74 OPRL1 (0.86) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL26092381 0.74 OPRL1 (0.86) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL29346464 0.72 DDB1 (0.65) CRBNDDB1

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-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 — — WO disclosed
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