SCHEMBL21939263

SCHEMBL21939263

O=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCN(I)CC5)cc4)cccc3C2=O)C(=O)N1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.85
▸ IKZF3 Q9UKT9 18/20 0.85
▸ TNF P01375 3/20 0.82
▸ IL1B P01584 3/20 0.82
▸ IKZF1 Q13422 1/20 0.82
▸ DDB1 Q16531 1/20 0.82

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
SCHEMBL26318062 0.96 CRBN (0.91) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL26321494 0.96 CRBN (0.91) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL22243504 0.94 CRBN (0.89) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2252296 0.93 CRBN (0.91) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2252158 0.93 CRBN (0.85) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL24146212 0.92 CRBN (0.87) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2249787 0.92 CRBN (1.00) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2249312 0.92 CRBN (0.84) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2248944 0.91 CRBN (0.83) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL2252489 0.91 CRBN (0.85) CRBNIKZF3TNFIL1BIKZF1

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-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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