SCHEMBL23515629

SCHEMBL23515629

CCCc1ccc([C@H](C)N[C@@H](C)P(=O)(O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.45
▸ MME P08473 6/20 0.44
▸ ANPEP P15144 2/20 0.44
▸ ECE1 P42892 5/20 0.44
▸ CPA1 P15085 1/20 0.43
▸ CPA2 P48052 1/20 0.43
▸ CPA4 Q9UI42 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43

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
SCHEMBL23515632 0.92 MME (0.51) ACE2MMEANPEPECE1
SCHEMBL26122670 0.79 ACE2 (0.50) ACE2MMEANPEPECE1
SCHEMBL6923615 0.78 ACE2 (0.58) ACE2MMEECE1MMP1MMP3
SCHEMBL23501480 0.76 MME (0.52) ACE2MMEANPEPECE1
SCHEMBL24991304 0.75 ACE2 (0.69) ACE2MMEECE1MMP1MMP3
SCHEMBL7613146 0.75 ACE2 (0.69) ACE2MMEECE1MMP1MMP3
SCHEMBL1764208 0.75 ACE2 (0.69) ACE2MMEECE1MMP1MMP3
SCHEMBL7613489 0.75 ACE2 (0.69) ACE2MMEECE1MMP1MMP3
SCHEMBL1764061 0.75 ACE2 (0.49) ACE2MMEANPEPECE1
SCHEMBL6923553 0.72 ECE1 (0.68) ACE2MMEECE1

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-2021116617-A1 PROCESS FOR INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL)METHYL)PROPANOYL)-L-ALANINE PHARMALEADS (FR) 2021-06-17 — — WO disclosed
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