SCHEMBL6619904

SCHEMBL6619904

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)[C@@H](O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.46
▸ BACE1 P56817 1/20 0.42
▸ PSEN1 P49768 4/20 0.42
▸ PSEN2 P49810 4/20 0.42
▸ APH1B Q8WW43 4/20 0.42
▸ NCSTN Q92542 4/20 0.42
▸ APH1A Q96BI3 4/20 0.42
▸ PSENEN Q9NZ42 4/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSD P07339 1/20 0.41

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
SCHEMBL6620241 0.92 CTSS (0.42) BACE1CTSKCTSBCTSSCTSL
SCHEMBL6927161 0.92 CTSS (0.42) BACE1CTSKCTSBCTSSCTSL
SCHEMBL6929841 0.90 REN (0.45) RENBACE1CTSKCTSBCTSS
SCHEMBL7819471 0.86 REN (0.47) RENBACE1PSEN1PSEN2APH1B
SCHEMBL7611319 0.84 CTSL (0.45) CTSKCTSBCTSSCTSLCTSD
SCHEMBL7608375 0.80 CTSL (0.44) CTSKCTSBCTSSCTSL
SCHEMBL7617864 0.79 CTSL (0.43) CTSKCTSBCTSSCTSLCTSD
SCHEMBL7473368 0.79 CTSK (0.52) CTSKCTSBCTSSCTSL
SCHEMBL7830240 0.78 CTSL (0.39) BACE1CTSKCTSBCTSSCTSL
SCHEMBL7616026 0.76 CTSL (0.46) CTSKCTSBCTSSCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — WO disclosed
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