SCHEMBL4445875

SCHEMBL4445875

CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00

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
SCHEMBL4451605 0.90 F10 (1.00) F10
SCHEMBL4444208 0.89 F10 (1.00) F10
SCHEMBL4445607 0.89 F10 (1.00) F10
SCHEMBL4446103 0.89 F10 (1.00) F10
SCHEMBL5431734 0.87 F10 (0.77) F10
SCHEMBL5438782 0.82 F10 (0.70) F10
SCHEMBL4451223 0.81 F10 (1.00) F10
SCHEMBL5631206 0.81 F10 (0.75) F10
SCHEMBL4445748 0.81 F10 (1.00) F10
SCHEMBL4445858 0.81 F10 (0.69) F10

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
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed