SCHEMBL10443784

SCHEMBL10443784

CC(C)CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ RNPEP Q9H4A4 1/20 0.45
▸ DNPEP Q9ULA0 1/20 0.45
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CAPN1 P07384 1/20 0.42
▸ GPR88 Q9GZN0 1/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
SCHEMBL11433447 0.91 SLC1A1 (0.41) SLC15A1LTA4HANPEPRNPEPDNPEP
SCHEMBL27809385 0.91 ANPEP (0.48) SLC15A1LTA4HANPEPRNPEPDNPEP
SCHEMBL28790921 0.89 SLC15A1 (0.50) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL7285563 0.89 SLC15A1 (0.42) SLC15A1LTA4HANPEPRNPEPDNPEP
SCHEMBL5492848 0.88 LTA4H (0.50) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL18174177 0.88 ALDH1A1 (0.47) CTSBCAPN1ALDH1A1ACE2CTSL
SCHEMBL15558106 0.88 LAP3 (0.48) LTA4HANPEPRNPEPDNPEPCTSB
SCHEMBL7278556 0.87 LTA4H (0.42) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL999188 0.86 CTSK (0.47) CTSBALDH1A1ACE2CTSLCTSS
SCHEMBL7269530 0.85 SLC7A5 (0.45) LTA4HANPEPRNPEPDNPEPALPI

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
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 — — EP disclosed
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