SCHEMBL28460902

SCHEMBL28460902

CCOC(=O)C(CC(C)C)NC(=O)CCC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.63
▸ ACE P12821 4/20 0.63
▸ MMEL1 Q495T6 3/20 0.55

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
SCHEMBL28460897 1.00 MME (0.63) MMEACEMMEL1
SCHEMBL21241439 1.00 MME (0.63) MMEACEMMEL1
SCHEMBL21221261 0.95 MME (0.71) MMEACEMMEL1
SCHEMBL21221260 0.95 MME (0.71) MMEACEMMEL1
SCHEMBL21221282 0.95 MME (0.65) MMEACEMMEL1
SCHEMBL21221283 0.95 MME (0.65) MMEACEMMEL1
SCHEMBL21221259 0.95 MME (0.71) MMEACEMMEL1
Sacubitril SCHEMBL8214132 0.90 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL22420467 0.90 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL2707112 0.90 MME (0.77) MMEACEMMEL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655671-A Substituted bisphenyl butyrate derivatives as NEP inhibitors 诺华股份有限公司 2020-09-11 — — CN claimed
CN-111655671-A Substituted bisphenyl butyrate derivatives as NEP inhibitors 诺华股份有限公司 2020-09-11 — — CN disclosed
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