SCHEMBL9752737

SCHEMBL9752737

CCOC(=O)[C@@H]1CC[C@H](NC(=O)C2(C[C@@H](CN)C(=O)OC(C)(C)C)CCCC2)C[C@@H]1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.42
MFN2 O95140 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
F9 P00740 2/20 0.33
F10 P00742 2/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL9753244 0.91 MME (0.40) MMEMFN2KMT2AL3MBTL1
SCHEMBL9753166 0.88 MME (0.38) MMEMFN2
SCHEMBL9753331 0.87 MME (0.37) MMEMFN2KMT2AL3MBTL1
SCHEMBL9753327 0.87 MME (0.37) MMEMFN2KMT2AL3MBTL1
SCHEMBL9752738 0.83 MFN2 (0.34) MMEMFN2KMT2AL3MBTL1HRH3
SCHEMBL9753159 0.82 MME (0.42) MMEMFN2
SCHEMBL9753161 0.82 MME (0.42) MMEMFN2
SCHEMBL7302140 0.78 MME (0.51) MMEKMT2A
SCHEMBL7291524 0.78 MME (0.51) MMEKMT2A
SCHEMBL7295956 0.77 MME (0.43) MMEL3MBTL1

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed