SCHEMBL7294367

SCHEMBL7294367

CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCC1)C(=O)O

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.91
MME P08473 3/20 0.91
ECE1 P42892 3/20 0.91
NPPA P01160 1/20 0.91
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CHRND Q07001 6/20 0.38
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
MMP1 P03956 1/20 0.38
NPY4R P50391 3/20 0.38
NPY1R P25929 2/20 0.38
NPY2R P49146 2/20 0.38
NPY5R Q15761 2/20 0.38

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 SCHEMBL7301333 0.95 ECE1 (1.00) ACEMMEECE1NPPAITGB3
Sampatrilat SCHEMBL49066 0.95 ECE1 (1.00) ACEMMEECE1NPPAITGB3
Sampatrilat SCHEMBL4567110 0.95 ECE1 (1.00) ACEMMEECE1NPPAITGB3
SCHEMBL7294361 0.88 MME (0.80) ACEMMEECE1NPPAITGB3
SCHEMBL7302883 0.85 MME (0.82) ACEMMEECE1NPPAITGB3
SCHEMBL7302871 0.85 MME (0.82) ACEMMEECE1NPPAITGB3
SCHEMBL9755065 0.85 MME (0.81) ACEMMEECE1NPPAMMP1
SCHEMBL9755064 0.85 MME (0.81) ACEMMEECE1NPPAMMP1
SCHEMBL6441043 0.85 ACE (0.81) ACEMMEECE1NPPAITGB3
SCHEMBL7322697 0.83 ECE1 (0.77) ACEMMEECE1NPPAITGB3

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