SCHEMBL7594265

SCHEMBL7594265

N#CCNC(=O)C(CNC(=O)c1ccccc1)Cc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 12/20 0.55
▸ CTSS P25774 15/20 0.54
▸ CTSL P07711 14/20 0.54
▸ CTSV O60911 8/20 0.54
▸ CTSK P43235 6/20 0.54
▸ FOLH1 Q04609 1/20 0.49
▸ F10 P00742 1/20 0.48
▸ PRSS1 P07477 1/20 0.48

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
SCHEMBL7666329 0.78 CTSL (0.64) CTSBCTSSCTSLCTSVCTSK
SCHEMBL7666326 0.78 CTSL (0.64) CTSBCTSSCTSLCTSVCTSK
SCHEMBL9365904 0.78 MAOA (0.66) —
SCHEMBL13483218 0.77 CNR1 (0.57) CTSBCTSSCTSLCTSVCTSK
SCHEMBL5422983 0.76 FOLH1 (0.45) CTSBCTSSCTSLCTSVCTSK
SCHEMBL5414780 0.75 CTSS (0.46) CTSBCTSSCTSLCTSVCTSK
SCHEMBL23279751 0.75 ACE (0.58) CTSBCTSSCTSLCTSVCTSK
SCHEMBL3174522 0.74 GAA (0.60) CTSBCTSSCTSLCTSVCTSK
SCHEMBL7666762 0.73 CTSL (0.48) CTSBCTSSCTSLCTSVCTSK
SCHEMBL5524114 0.72 CTSL (0.56) CTSBCTSSCTSLCTSVCTSK

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
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 — — US disclosed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 — — EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 — — WO disclosed
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