SCHEMBL4451460

SCHEMBL4451460

O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F

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
SCHEMBL4449732 0.92 F10 (0.85) F10
SCHEMBL4449898 0.92 F10 (0.84) F10
SCHEMBL4451382 0.89 F10 (0.79) F10
SCHEMBL4451678 0.88 F10 (0.78) F10
SCHEMBL4445695 0.87 F10 (1.00) F10
SCHEMBL3823441 0.87 F10 (1.00) F10
SCHEMBL4453900 0.87 F10 (1.00) F10
SCHEMBL4447881 0.87 F10 (1.00) F10
SCHEMBL4453431 0.86 F10 (1.00) F10
SCHEMBL4446183 0.86 F10 (0.80) 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 2 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