SCHEMBL18672776

SCHEMBL18672776

C[C@@H](CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.80
MMEL1 Q495T6 5/20 0.80
ACE P12821 7/20 0.60

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
SCHEMBL12317426 1.00 MME (0.80) MMEMMEL1ACE
SCHEMBL12317458 1.00 MME (0.80) MMEMMEL1ACE
SCHEMBL18672862 1.00 MME (0.80) MMEMMEL1ACE
SCHEMBL2706721 0.89 MMEL1 (0.69) MMEMMEL1ACE
SCHEMBL18672682 0.89 MME (1.00) MMEMMEL1ACE
SCHEMBL2706231 0.89 MME (1.00) MMEMMEL1ACE
SCHEMBL2877488 0.86 MMEL1 (1.00) MMEMMEL1ACE
SCHEMBL2877490 0.86 MMEL1 (1.00) MMEMMEL1ACE
SCHEMBL3700453 0.84 MME (1.00) MMEMMEL1ACE
SCHEMBL3709244 0.84 MME (1.00) MMEMMEL1ACE

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
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed