SCHEMBL16083889

SCHEMBL16083889

C=C(c1ccc(NS(=O)(=O)C2=CC=CCC2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 18/20 0.52
▸ GRIN2B Q13224 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL16049804 0.90 PKLR (0.65) PKLR
SCHEMBL16051036 0.73 PKLR (0.59) PKLR
SCHEMBL21976020 0.71 PKLR (0.51) PKLR
SCHEMBL16084068 0.69 PKLR (1.00) PKLR
SCHEMBL16084037 0.69 PKLR (1.00) PKLR
SCHEMBL16049744 0.67 PKLR (1.00) PKLR
SCHEMBL16083896 0.67 PKLR (1.00) PKLR
SCHEMBL16130053 0.66 PKLR (0.80) PKLR
SCHEMBL16084066 0.66 PKLR (1.00) PKLR
SCHEMBL16084023 0.65 PKLR (0.78) PKLR

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
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
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