SCHEMBL6444376

SCHEMBL6444376

[CH2]CC[C@@H](C(=O)NCC)N(C=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.30

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
SCHEMBL6441518 1.00 CTSK (0.30) CTSK
SCHEMBL4775248 0.86 CTSK (0.40) CTSK
SCHEMBL4773839 0.86 CTSK (0.40) CTSK
SCHEMBL14471620 0.85 SELP (0.34) CTSK
SCHEMBL14471627 0.70 BMP1 (0.33)
SCHEMBL3277142 0.70 CHRM1 (0.39) CTSK
SCHEMBL1901197 0.69 PGD (0.30)
SCHEMBL7434747 0.67 CTSK (0.39) CTSK
SCHEMBL5183590 0.66 CYP1A2 (0.36)
SCHEMBL8133935 0.66 SLC1A3 (0.34)

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-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed