SCHEMBL30458739

SCHEMBL30458739

O=C1CCC(N2Cc3cccc(CN4CCN(C5CCNCC5)CC4)c3C2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.53
▸ IKZF3 Q9UKT9 5/20 0.40
▸ DDB1 Q16531 4/20 0.39
▸ IKZF2 Q9UKS7 2/20 0.38
▸ GSPT1 P15170 1/20 0.36
▸ TNF P01375 3/20 0.36
▸ IL1B P01584 3/20 0.36
▸ IKZF1 Q13422 2/20 0.36
▸ BRD4 O60885 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
SCHEMBL30460123 0.92 CRBN (0.53) CRBNIKZF3DDB1IKZF2GSPT1
SCHEMBL30459375 0.91 CRBN (0.54) CRBNIKZF3DDB1IKZF2TNF
SCHEMBL30459357 0.88 CRBN (0.53) CRBNIKZF3DDB1IKZF2GSPT1
SCHEMBL30458369 0.85 CRBN (0.49) CRBNIKZF3DDB1TNFIL1B
SCHEMBL30458263 0.84 CRBN (0.55) CRBNIKZF3DDB1IKZF2TNF
SCHEMBL30458385 0.83 CRBN (0.54) CRBNIKZF3DDB1IKZF2
SCHEMBL25228108 0.83 CRBN (0.57) CRBNIKZF3DDB1IKZF2TNF
SCHEMBL31077119 0.83 CRBN (0.57) CRBNIKZF3DDB1IKZF2TNF
SCHEMBL30459878 0.82 CRBN (0.53) CRBNIKZF3DDB1IKZF2TNF
SCHEMBL30459729 0.82 CRBN (0.53) CRBNIKZF3DDB1IKZF2TNF

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
Send feedback