SCHEMBL4775248

SCHEMBL4775248

CCCC[C@H](C(=O)NCC)N(C=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
CTSS P25774 1/20 0.35
PDF Q9HBH1 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34

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
SCHEMBL4773839 1.00 CTSK (0.40) CTSKCTSSPDFCA1CA2
SCHEMBL6444376 0.86 CTSK (0.30) CTSK
SCHEMBL6441518 0.86 CTSK (0.30) CTSK
SCHEMBL14471620 0.85 SELP (0.34) CTSK
SCHEMBL7434747 0.80 CTSK (0.39) CTSKCTSSPDFCA1CA2
SCHEMBL7434758 0.80 CTSK (0.39) CTSKCTSSPDFCA1CA2
SCHEMBL8146707 0.77 GRIK1 (0.42) CA2
SCHEMBL8146704 0.77 GRIK1 (0.42) CA2
SCHEMBL7442612 0.74 DPP7 (0.35) CTSKCTSSPDFCA1CA2
SCHEMBL3277142 0.73 CHRM1 (0.39) CTSKCTSSCA2

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 7 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 claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed