SCHEMBL9753244

SCHEMBL9753244

CCOC(=O)[C@@H]1CC[C@H](NC(=O)C2(C[C@@H](CN(CCc3ccccc3)CCc3ccccc3)C(=O)OC(C)(C)C)CCCC2)C[C@@H]1CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.40
MFN2 O95140 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL9752737 0.91 MME (0.42) MMEMFN2L3MBTL1KMT2A
SCHEMBL9753166 0.87 MME (0.38) MMEMFN2
SCHEMBL9753331 0.85 MME (0.37) MMEMFN2L3MBTL1KMT2A
SCHEMBL9753327 0.85 MME (0.37) MMEMFN2L3MBTL1KMT2A
SCHEMBL9753245 0.84 L3MBTL1 (0.32) MFN2L3MBTL1KMT2AOPRM1
SCHEMBL7295956 0.81 MME (0.43) MMEL3MBTL1
SCHEMBL7295964 0.81 MME (0.43) MMEL3MBTL1
SCHEMBL9470101 0.80 MME (0.42) MMEL3MBTL1
SCHEMBL9470099 0.80 MME (0.42) MMEL3MBTL1
SCHEMBL9753159 0.79 MME (0.42) MMEMFN2

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