SCHEMBL7758744

SCHEMBL7758744

C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
REN P00797 4/20 0.64
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
F2 P00734 1/20 0.49
LTA4H P09960 1/20 0.49
MAPT P10636 1/20 0.49
PEPD P12955 1/20 0.49
ALOX15 P16050 1/20 0.49
PTGS1 P23219 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH1 P35367 1/20 0.49
THPO P40225 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
DPP4 P27487 2/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48

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
SCHEMBL31038265 0.88 ACE (0.62) ACERENLMNAKDM4EF2
SCHEMBL29576726 0.88 ACE (0.62) ACERENLMNAKDM4EF2
SCHEMBL30436048 0.88 ACE (0.51) ACERENLMNAKDM4EF2
SCHEMBL7757811 0.88 ACE (0.61) ACERENLMNAKDM4EF2
SCHEMBL10733124 0.88 ACE (0.61) ACERENLMNAKDM4EF2
SCHEMBL30957276 0.87 ACE (0.60) ACERENLMNAKDM4EF2
SCHEMBL30264477 0.87 ACE (0.59) ACERENLMNAKDM4EF2
SCHEMBL31214680 0.86 ACE (0.52) ACERENLMNAKDM4EF2
SCHEMBL29470154 0.86 ACE (0.52) ACERENLMNAKDM4EF2
SCHEMBL12966251 0.86 ACE (0.52) ACERENLMNAKDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068114-A1 NOVEL PEPTIDES WITH ANTI-HYPERTENSIVE ACTIVITY MONSANTO COMPANY (US) 2001-09-20 WO disclosed