SCHEMBL4451338

SCHEMBL4451338

CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.63
MAPT P10636 2/20 0.48
HTT P42858 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4926347 0.80 MAPT (0.67) MAPTHTTKMT2ALMNAMEN1
SCHEMBL5022987 0.79 F10 (0.76) F10MAPTHTTKMT2ALMNA
SCHEMBL5026695 0.79 LMNA (0.63) F10MAPTHTTKMT2ALMNA
SCHEMBL4451362 0.79 F10 (0.59) F10
SCHEMBL4445655 0.77 F10 (1.00) F10
SCHEMBL4921802 0.77 EPHX2 (0.62) MAPTHTTKMT2ALMNAMEN1
SCHEMBL4445858 0.76 F10 (0.69) F10MAPTHTTKMT2ALMNA
SCHEMBL4442251 0.75 F10 (1.00) F10MAPT
SCHEMBL5184217 0.74 MAPT (0.62) MAPTHTTKMT2ALMNAMEN1
SCHEMBL2178015 0.74 L3MBTL1 (0.47) MAPTHTTKMT2ALMNAMEN1

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 6 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
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