SCHEMBL5023474

SCHEMBL5023474

CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(C(=O)N3CCC(F)CC3)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.76
L3MBTL1 Q9Y468 1/20 0.56
MGLL Q99685 1/20 0.55
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL5022987 0.90 F10 (0.76) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL5022242 0.88 F10 (0.77) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL5023535 0.88 F10 (0.73) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL5022491 0.88 F10 (0.76) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL5026710 0.86 F10 (1.00) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL5023423 0.86 F10 (0.73) F10L3MBTL1MGLLLMNAHPGD
SCHEMBL4445858 0.80 F10 (0.69) F10L3MBTL1LMNAALDH1A1POLB
SCHEMBL4451338 0.73 F10 (0.63) F10L3MBTL1LMNASMN1; SMN2
SCHEMBL4442251 0.73 F10 (1.00) F10
SCHEMBL4443718 0.72 F10 (0.94) F10L3MBTL1POLBSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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