SCHEMBL9753889

SCHEMBL9753889

CS(=O)(=O)N[C@@H](CCCCN)C(=O)NCC(CC1(C(=O)NC2(C(=O)O)Cc3ccccc3C2)CCCC1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.65
ACE P12821 3/20 0.65
ECE1 P42892 2/20 0.65
NPPA P01160 1/20 0.65
CPB2 Q96IY4 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL9753893 1.00 MME (0.65) MMEACEECE1NPPACPB2
SCHEMBL9753506 0.90 MME (0.64) MMEACEECE1NPPACPB2
SCHEMBL9753510 0.90 MME (0.64) MMEACEECE1NPPACPB2
SCHEMBL9753450 0.86 MME (0.47) MMEACEECE1NPPAMMP2
SCHEMBL9753909 0.86 MME (0.47) MMEACEECE1NPPAMMP2
Sampatrilat SCHEMBL49066 0.79 ECE1 (1.00) MMEACEECE1NPPACPB2
Sampatrilat SCHEMBL4567110 0.79 ECE1 (1.00) MMEACEECE1NPPACPB2
Sampatrilat SCHEMBL7301333 0.79 ECE1 (1.00) MMEACEECE1NPPACPB2
SCHEMBL7294367 0.78 ACE (0.91) MMEACEECE1NPPAITGB3
SCHEMBL7294361 0.78 MME (0.80) MMEACEECE1NPPAMMP2

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-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO claimed