SCHEMBL7147518

SCHEMBL7147518

O=S(=O)(c1ccc2ccccc2c1)N1CC(S)CC1CNCc1c(F)ccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 11/20 0.46
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
HSD11B1 P28845 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 2/20 0.37
TSHR P16473 1/20 0.37
NPY5R Q15761 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.35

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
SCHEMBL5412920 1.00 ECE1 (0.46) ECE1MMEACEHSD11B1LMNA
SCHEMBL5398840 0.88 ECE1 (0.45) ECE1MMEACEHSD11B1LMNA
SCHEMBL5404984 0.87 LMNA (0.47) ECE1MMEACELMNAHPGD
SCHEMBL5412634 0.86 ECE1 (0.50) ECE1MMEACELMNAHPGD
SCHEMBL7176916 0.85 ECE1 (0.46) ECE1MMEACELMNAHPGD
SCHEMBL5407079 0.85 ECE1 (0.46) ECE1MMEACELMNAHPGD
SCHEMBL5406244 0.84 ECE1 (0.46) ECE1MMEACELMNAALDH1A1
SCHEMBL5412805 0.84 ECE1 (0.46) ECE1MMEACEHSD11B1LMNA
SCHEMBL7136736 0.84 ECE1 (0.43) ECE1MMEACELMNAHPGD
SCHEMBL7141600 0.84 ECE1 (0.43) ECE1MMEACELMNAHPGD

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
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed