SCHEMBL21088212

SCHEMBL21088212

CNc1cc(Nc2ccc3c4c(n(C)c3c2)CCC(N(C)C(=O)OC(C)(C)C)C4)ccc1OC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.34
▸ QRFPR Q96P65 1/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.32
▸ AURKA O14965 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ TTK P33981 1/20 0.30

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
SCHEMBL12128199 0.92 APP (0.35) HTR6PTGDR2
SCHEMBL12128235 0.84 APP (0.37) HTR6PTGDR2
SCHEMBL12128227 0.82 KEAP1 (0.36) PTGDR2
SCHEMBL12128127 0.82 PDE4B (0.35) HTR6PTGDR2
SCHEMBL12131843 0.79 PTGDR2 (0.36) PTGDR2TTK
SCHEMBL12127944 0.79 MAPT (0.35) PTGDR2TTK
SCHEMBL21089058 0.78 PTGDR2 (0.38) HTR6PTGDR2
SCHEMBL12127658 0.78 HTR6 (0.41) HTR6PTGDR2
SCHEMBL12127951 0.77 GALR1 (0.39) HTR6PTGDR2
SCHEMBL12131830 0.77 AKR1C3 (0.36) HTR6PTGDR2

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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