SCHEMBL7300825

SCHEMBL7300825

NCCCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.71
ACE P12821 3/20 0.71
ECE1 P42892 3/20 0.71
NPPA P01160 1/20 0.71
CTSL P07711 1/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL7300818 1.00 MME (0.71) MMEACEECE1NPPACTSL
SCHEMBL6441043 0.87 ACE (0.81) MMEACEECE1NPPACHRNA1
SCHEMBL7293863 0.84 MME (0.77) MMEACEECE1NPPAITGB1
SCHEMBL7293852 0.84 MME (0.77) MMEACEECE1NPPAITGB1
SCHEMBL7293844 0.84 MME (0.77) MMEACEECE1NPPAITGB1
Sampatrilat SCHEMBL49066 0.83 ECE1 (1.00) MMEACEECE1NPPACHRNA1
Sampatrilat SCHEMBL4567110 0.83 ECE1 (1.00) MMEACEECE1NPPACHRNA1
Sampatrilat SCHEMBL7301333 0.83 ECE1 (1.00) MMEACEECE1NPPACHRNA1
SCHEMBL7302871 0.83 MME (0.82) MMEACEECE1NPPACHRNA1
SCHEMBL7302883 0.83 MME (0.82) MMEACEECE1NPPACHRNA1

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-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP claimed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP claimed
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP disclosed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP disclosed