SCHEMBL21089058

SCHEMBL21089058

CN(C(=O)OC(C)(C)C)C1CCc2c(c3ccc(I)cc3n2C)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 17/20 0.38
▸ HTR6 P50406 3/20 0.34

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
SCHEMBL12127658 0.88 HTR6 (0.41) PTGDR2HTR6
SCHEMBL21088821 0.82 PTGDR2 (0.35) PTGDR2
SCHEMBL12128235 0.81 APP (0.37) PTGDR2HTR6
SCHEMBL12128199 0.81 APP (0.35) PTGDR2HTR6
SCHEMBL12128227 0.79 KEAP1 (0.36) PTGDR2
SCHEMBL21088212 0.78 HTR6 (0.34) PTGDR2HTR6
SCHEMBL12127548 0.78 PTGDR2 (0.35) PTGDR2HTR6
SCHEMBL21088824 0.78 PTGDR2 (0.35) PTGDR2
SCHEMBL6710520 0.76 HTR6 (0.52) PTGDR2HTR6
SCHEMBL12127652 0.76 HTR6 (0.40) PTGDR2HTR6

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
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 — — EP disclosed
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