SCHEMBL30459357

SCHEMBL30459357

O=C1CCC(N2Cc3cccc(CN4CC(N5CCNCC5)C4)c3C2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.53
▸ DDB1 Q16531 5/20 0.37
▸ GSPT1 P15170 1/20 0.36
▸ IKZF3 Q9UKT9 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ IKZF1 Q13422 1/20 0.36
▸ IKZF2 Q9UKS7 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30458369 0.93 CRBN (0.49) CRBNDDB1IKZF3BRD4TNF
SCHEMBL30460123 0.92 CRBN (0.53) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL30458739 0.88 CRBN (0.53) CRBNDDB1GSPT1IKZF3BRD4
SCHEMBL30459375 0.85 CRBN (0.54) CRBNDDB1IKZF3BRD4TNF
SCHEMBL30460136 0.84 CRBN (0.57) CRBNDDB1IKZF3BRD4TNF
SCHEMBL30458968 0.84 CRBN (0.57) CRBNDDB1IKZF3BRD4TNF
SCHEMBL25647443 0.83 CRBN (0.57) CRBNDDB1IKZF3BRD4TNF
SCHEMBL30458263 0.82 CRBN (0.55) CRBNDDB1IKZF3BRD4TNF
SCHEMBL30458935 0.81 CRBN (0.51) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL25423114 0.81 CRBN (0.65) CRBNDDB1IKZF3BRD4TNF

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-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 claimed
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