SCHEMBL7819471

SCHEMBL7819471

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.47
▸ PSEN1 P49768 4/20 0.41
▸ PSEN2 P49810 4/20 0.41
▸ APH1B Q8WW43 4/20 0.41
▸ NCSTN Q92542 4/20 0.41
▸ APH1A Q96BI3 4/20 0.41
▸ PSENEN Q9NZ42 4/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL6619904 0.86 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL6929841 0.86 REN (0.45) RENCTSKCTSBCTSSCTSL
SCHEMBL7830243 0.82 CTSK (0.39) RENCTSKCTSBCTSSCTSL
SCHEMBL7813672 0.82 HSPA5 (0.49) CTSKCTSBCTSSCTSLCTSD
SCHEMBL6927161 0.78 CTSS (0.42) CTSKCTSBCTSSCTSLBACE1
SCHEMBL6620241 0.78 CTSS (0.42) CTSKCTSBCTSSCTSLBACE1
SCHEMBL7816008 0.75 CTSK (0.40) CTSKCTSBCTSSCTSL
SCHEMBL7473368 0.74 CTSK (0.52) CTSKCTSBCTSSCTSL
SCHEMBL4689758 0.74 CTSK (0.63) CTSKCTSBCTSSCTSL
SCHEMBL7037376 0.74 CTSK (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO disclosed
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