SCHEMBL7452835

SCHEMBL7452835

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

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.83
CTSL P07711 14/20 0.83
CTSS P25774 12/20 0.80
CTSB P07858 4/20 0.60

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
SCHEMBL7441698 0.89 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7450480 0.87 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL7442705 0.86 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7451164 0.86 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL7452830 0.85 CTSL (0.78) CTSKCTSLCTSSCTSB
SCHEMBL7444598 0.85 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7160147 0.84 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL8086234 0.83 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7322234 0.82 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL7442711 0.82 CTSL (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904284-B1 6-substituted amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC (CA) 2002-01-30 EP disclosed
US-5905076-A TREATMENT OF MUSCULAR DYSTROPHY, ARTHRITIS, MYOCARDIAL INFARCTION, ALZHEIMER'S DISEASE, BACTERIAL INFECTION, COMMON COLD, OSTEOPOROSIS OR CANCER METASTASIS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1999-05-18 US disclosed
EP-0904284-A1 6-SUBSTITUTED AMINO-4-OXA-1-AZABICYCLO (3,2,0) HEPTAN-7-ONE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-03-31 EP disclosed
WO-1997038008-A1 6-SUBSTITUTED AMINO-4-OXA-1-AZABICYCLO[3,2,0] HEPTAN-7-ONE DERIV ATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1997-10-16 WO disclosed