SCHEMBL7450480

SCHEMBL7450480

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.64
CTSL P07711 15/20 0.64
CTSS P25774 13/20 0.64
CTSB P07858 5/20 0.58
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7452835 0.87 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL7504890 0.87 CTSK (0.61) CTSKCTSLCTSSCTSBCYP1A2
SCHEMBL7451164 0.86 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL7436054 0.85 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL7441698 0.78 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7442705 0.78 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7452830 0.77 CTSL (0.78) CTSKCTSLCTSSCTSB
SCHEMBL7451161 0.76 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL10544244 0.74 CTSL (0.74) CTSKCTSLCTSSCYP1A2
SCHEMBL7159850 0.74 CTSK (0.80) 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