SCHEMBL5022987

SCHEMBL5022987

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

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.76
POLB P06746 1/20 0.57
PHGDH O43175 1/20 0.56
EPHX2 P34913 1/20 0.54
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AKR1C3 P42330 1/20 0.52
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MGLL Q99685 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL5023474 0.90 F10 (0.76) F10POLBEPHX2LMNAL3MBTL1
SCHEMBL5022242 0.88 F10 (0.77) F10POLBEPHX2LMNAL3MBTL1
SCHEMBL5022491 0.88 F10 (0.76) F10POLBLMNAL3MBTL1HPGD
SCHEMBL5026710 0.86 F10 (1.00) F10POLBLMNAL3MBTL1HPGD
SCHEMBL5023535 0.86 F10 (0.73) F10POLBLMNAL3MBTL1HPGD
SCHEMBL5023423 0.86 F10 (0.73) F10POLBLMNAL3MBTL1HPGD
SCHEMBL4445858 0.80 F10 (0.69) F10POLBLMNAL3MBTL1ALDH1A1
SCHEMBL4451338 0.79 F10 (0.63) F10LMNAL3MBTL1NPC1MAPT
SCHEMBL5026695 0.79 LMNA (0.63) F10POLBEPHX2LMNANPC1
SCHEMBL4442251 0.79 F10 (1.00) F10MAPT

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