SCHEMBL6259873

SCHEMBL6259873

COCC[C@H](C(=O)O)C(C(=O)NO[C@@H](Cc1nc(C)c(-c2ccccc2)o1)C(=O)O)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.51
NPPA P01160 4/20 0.51
NR4A2 P43354 6/20 0.38
RXRA P19793 3/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
XIAP P98170 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6259877 0.76 MME (0.59) MMENPPANR4A2
SCHEMBL6255992 0.71 MME (0.61) MMENPPARXRAACECPA1
SCHEMBL8331455 0.67 MME (0.73) MMENPPA
SCHEMBL6256519 0.66 MME (0.64) MMENPPAACECPA1ACE2
SCHEMBL6806869 0.65 MME (0.64) MMENPPA
SCHEMBL8324967 0.64 MME (0.63) MMENPPA
SCHEMBL21562409 0.63 NR1H4 (0.56) NR4A2RXRANR1H4RXRBRXRG
SCHEMBL6257546 0.63 NR4A2 (0.48) MMENPPANR4A2RXRANR1H4
SCHEMBL5664033 0.60 NR4A2 (0.69) NR4A2RXRANR1H4RXRBRXRG
SCHEMBL489206 0.60 MME (0.56) MMEPPARGPPARAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578735-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS Pfizer Limited (GB) 2005-09-28 EP claimed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO claimed
EP-1578735-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS Pfizer Limited (GB) 2005-09-28 EP disclosed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO disclosed