SCHEMBL21088824

SCHEMBL21088824

Bc1ccc2c3c(n(C)c2n1)CCC(N(C)C(=O)OC(C)(C)C)C3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 14/20 0.35
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ RET P07949 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL12127548 0.90 PTGDR2 (0.35) PTGDR2AURKAPDPK1AURKBPDE10A
SCHEMBL21088821 0.88 PTGDR2 (0.35) PTGDR2AURKAPDPK1AURKBPDE10A
SCHEMBL12127551 0.81 PTGDR2 (0.33) PTGDR2PDE10ASPRKDM4DPTGDR
SCHEMBL12128309 0.80 PTGDR2 (0.37) PTGDR2
SCHEMBL12128307 0.79 PTGDR2 (0.35) PTGDR2
SCHEMBL12128741 0.79 MAPT (0.33) PTGDR2AURKAPDPK1AURKBSPR
SCHEMBL12128311 0.79 PTGDR2 (0.35) PTGDR2
SCHEMBL12128292 0.79 APP (0.35) PTGDR2
SCHEMBL12127660 0.78 PTGDR2 (0.35) PTGDR2
SCHEMBL12128729 0.78 NPC1 (0.38) PTGDR2AURKAPDPK1AURKB

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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