SCHEMBL7300557

SCHEMBL7300557

CN([C@@H](CCCCN)C(=O)NCC(CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O)S(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.78
ACE P12821 4/20 0.78
ECE1 P42892 3/20 0.78
NPPA P01160 1/20 0.78
CTSB P07858 1/20 0.39
ITGB1 P05556 4/20 0.38
ITGA4 P13612 4/20 0.38
MMP1 P03956 4/20 0.38
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
ERAP2 Q6P179 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37

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
Sampatrilat SCHEMBL4567110 0.88 ECE1 (1.00) MMEACEECE1NPPAITGB1
Sampatrilat SCHEMBL7301333 0.88 ECE1 (1.00) MMEACEECE1NPPAITGB1
Sampatrilat SCHEMBL49066 0.88 ECE1 (1.00) MMEACEECE1NPPAITGB1
SCHEMBL7293863 0.85 MME (0.77) MMEACEECE1NPPAITGB1
SCHEMBL7293844 0.85 MME (0.77) MMEACEECE1NPPAITGB1
SCHEMBL7293852 0.85 MME (0.77) MMEACEECE1NPPAITGB1
SCHEMBL6441043 0.85 ACE (0.81) MMEACEECE1NPPAERAP2
SCHEMBL7294367 0.83 ACE (0.91) MMEACEECE1NPPAMMP1
SCHEMBL7322680 0.83 MME (0.66) MMEACEECE1NPPAITGB1
SCHEMBL7302883 0.82 MME (0.82) MMEACEECE1NPPAITGB1

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
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP disclosed