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Sugi Predict / Compounds / SCHEMBL4451260

SCHEMBL4451260

SCHEMBL4451260

CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 1.00
▸ KCNH2 Q12809 1/20 0.77

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
SCHEMBL4444148 0.91 F10 (0.84) F10
SCHEMBL4564819 0.88 F10 (1.00) F10
SCHEMBL4453388 0.88 F10 (1.00) F10
SCHEMBL1030154 0.88 F10 (0.84) F10
SCHEMBL8261774 0.88 F10 (0.84) F10
SCHEMBL6065960 0.88 F10 (1.00) F10
SCHEMBL4449907 0.88 F10 (1.00) F10
SCHEMBL4440158 0.87 F10 (0.79) F10
SCHEMBL4445682 0.87 F10 (0.86) F10
SCHEMBL4444216 0.87 F10 (1.00) F10KCNH2

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 8 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 claimed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 — — EP claimed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 — — EP claimed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 — — WO claimed
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