SCHEMBL7141894

SCHEMBL7141894

Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](SS[C@H]3CN[C@H](C(NS(=O)(=O)c4ccc(C)cc4)S(=O)(=O)c4ccc5ccccc5c4)C3)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.40
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
ECE1 P42892 1/20 0.36
SLC6A9 P48067 1/20 0.35
ALDH1A1 P00352 4/20 0.35
F2 P00734 3/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
BCHE P06276 2/20 0.33
MAOB P27338 1/20 0.33
ACACB O00763 1/20 0.32
GAA P10253 1/20 0.32
CCR4 P51679 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5409382 0.86 NPY5R (0.45) NPY5RMMEACEECE1SLC6A9
SCHEMBL5413603 0.76 KAT6A (0.41) NPY5RMMEACEECE1SLC6A9
SCHEMBL5413600 0.74 ECE1 (0.56) NPY5RMMEACEECE1SLC6A9
SCHEMBL5413596 0.74 ECE1 (0.56) NPY5RMMEACEECE1SLC6A9
SCHEMBL5413360 0.68 LMNA (0.45) ECE1ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL7145132 0.65 L3MBTL1 (0.37) MMEACEECE1SLC6A9LMNA
SCHEMBL5409515 0.65 L3MBTL1 (0.37) MMEACEECE1SLC6A9LMNA
SCHEMBL10332417 0.65 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2A
SCHEMBL5409511 0.63 ECE1 (0.50) MMEACEECE1SLC6A9ALDH1A1
SCHEMBL5409505 0.63 ECE1 (0.50) MMEACEECE1SLC6A9ALDH1A1

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