SCHEMBL21976134

SCHEMBL21976134

CC(C)CC1(O)CCN(C(=O)c2ccc(NSc3cccc4c3OCO4)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.69

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
SCHEMBL21976130 0.85 PKLR (0.69) PKLR
SCHEMBL16050847 0.81 PKLR (1.00) PKLR
SCHEMBL21976025 0.81 PKLR (0.67) PKLR
SCHEMBL21976267 0.79 PKLR (0.70) PKLR
SCHEMBL21976548 0.79 PKLR (0.70) PKLR
SCHEMBL21976590 0.79 PKLR (0.61) PKLR
SCHEMBL21977086 0.79 PKLR (0.77) PKLR
SCHEMBL21976149 0.79 PKLR (0.51) PKLR
SCHEMBL21976332 0.77 PKLR (0.55) PKLR
SCHEMBL21976085 0.77 PKLR (0.53) 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
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
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