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Sugi Predict / Compounds / SCHEMBL17679130

SCHEMBL17679130

SCHEMBL17679130

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1ncno1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ HRH2 P25021 2/20 0.30
▸ HRH1 P35367 2/20 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
SCHEMBL17356196 1.00 GRIN2B (0.39) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL17356194 0.85 GRIN2B (0.39) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL17356207 0.85 GRIN2B (0.39) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL17356201 0.85 GRIN2B (0.41) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL17352408 0.85 GRIN2B (0.41) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL15937236 0.84 BACE1 (0.31) —
SCHEMBL20329125 0.83 CTSL (0.32) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL15937231 0.83 CTSL (0.32) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL19501063 0.80 CTSK (0.38) GRIN2BGRIN2CCTSLCTSBCTSK
SCHEMBL19501065 0.79 CTSL (0.41) GRIN2BGRIN2CCTSLCTSBCTSK

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-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 — — WO disclosed