SCHEMBL8086278

SCHEMBL8086278

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N[C@H]1Sc1ccncc1)OCc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.88
CTSL P07711 14/20 0.88
CTSS P25774 11/20 0.88
CTSB P07858 3/20 0.51

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
SCHEMBL7450469 1.00 CTSK (0.88) CTSKCTSLCTSSCTSB
SCHEMBL7441730 0.93 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7443679 0.93 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7325867 0.84 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL7325878 0.82 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL7325885 0.82 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL7322234 0.81 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL7449383 0.78 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL8356963 0.78 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL7444598 0.77 CTSK (1.00) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed