SCHEMBL21088408

SCHEMBL21088408

CN(C(=O)OC(C)(C)C)C1CCc2c(n(C)c3ncc(Nc4ccc(F)c(F)c4)cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ KAT8 Q9H7Z6 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 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
SCHEMBL12132048 0.95 PTGDR2 (0.37) PTGDR2
SCHEMBL12131854 0.88 PTGDR2 (0.38) PTGDR2HTR2AHTR2CSLC6A4
SCHEMBL12131843 0.84 PTGDR2 (0.36) PTGDR2JAK2BRD4
SCHEMBL12285041 0.82 AAK1 (0.40) PTGDR2JAK2JAK1JAK3
SCHEMBL12131953 0.82 MAPT (0.36) —
SCHEMBL12128292 0.81 APP (0.35) PTGDR2
SCHEMBL12128235 0.81 APP (0.37) PTGDR2
SCHEMBL12129664 0.75 APP (0.35) PTGDR2CHRM4JAK2BRD4JAK1
SCHEMBL12127660 0.75 PTGDR2 (0.35) PTGDR2
SCHEMBL12128087 0.74 PTGDR2 (0.34) PTGDR2BRD4

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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