SCHEMBL9753128

SCHEMBL9753128

NCCCC[C@H](N)C(=O)NC[C@@H](CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.62
ACE P12821 2/20 0.46
NPPA P01160 1/20 0.46
ECE1 P42892 1/20 0.46
MMP2 P08253 2/20 0.44
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CXCR3 P49682 1/20 0.35

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
SCHEMBL9753127 1.00 MME (0.62) MMEACENPPAECE1MMP2
SCHEMBL9753909 0.89 MME (0.47) MMEACENPPAECE1MMP2
SCHEMBL9753450 0.89 MME (0.47) MMEACENPPAECE1MMP2
SCHEMBL9753510 0.86 MME (0.64) MMEACENPPAECE1MMP2
SCHEMBL9753506 0.86 MME (0.64) MMEACENPPAECE1MMP2
SCHEMBL5924879 0.77 MME (1.00) MME
SCHEMBL5925045 0.77 MME (0.79) MME
SCHEMBL5924893 0.77 MME (0.79) MME
SCHEMBL9753893 0.76 MME (0.65) MMEACENPPAECE1MMP2
SCHEMBL9753889 0.76 MME (0.65) MMEACENPPAECE1MMP2

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 disclosed