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SCHEMBL18682803

SCHEMBL18682803

Cn1nccc1-c1nn[nH]c1CO[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.43
▸ PRMT5 O14744 3/20 0.42
▸ WDR77 Q9BQA1 3/20 0.42
▸ PIK3CD O00329 9/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL1308302 0.72 GPR119 (0.58) GPR119PRMT5WDR77PIK3CDUSP30
SCHEMBL1308297 0.72 GPR119 (0.58) GPR119PRMT5WDR77PIK3CDUSP30
SCHEMBL15000904 0.72 GPR119 (0.58) GPR119PRMT5WDR77PIK3CDUSP30
SCHEMBL4416101 0.72 GPR119 (0.55) GPR119PRMT5WDR77
SCHEMBL29770662 0.71 GPR119 (0.45) GPR119PRMT5WDR77PIK3CDUSP30
SCHEMBL29770656 0.71 GPR119 (0.45) GPR119PRMT5WDR77PIK3CDUSP30
SCHEMBL942191 0.70 JAK2 (0.55) GPR119PRMT5WDR77USP30
SCHEMBL20503925 0.70 JAK2 (0.55) GPR119PRMT5WDR77USP30
SCHEMBL697850 0.70 JAK2 (0.55) GPR119PRMT5WDR77USP30
SCHEMBL25223746 0.70 GPR119 (0.54) GPR119PRMT5WDR77PIK3CDUSP30

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-2986616-B1 TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS ESTEVE LABOR DR (ES) 2017-03-29 — — EP disclosed