SCHEMBL4766548

SCHEMBL4766548

CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 1/20 0.49
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
PREP P48147 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MEN1 O00255 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
SCHEMBL5435526 1.00 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5451133 1.00 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL23845173 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5416784 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL13287349 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL13399539 0.92 CTSK (0.46) CTSKCTSLCTSBHRH2HRH1
SCHEMBL19982034 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL16709994 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL27610791 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL4180221 0.85 HRH2 (0.49) CTSKCTSLCTSBHRH2HRH1

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-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed