SCHEMBL7419554

SCHEMBL7419554

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.54
NMUR2 Q9GZQ4 4/20 0.50
NMUR1 Q9HB89 3/20 0.50
CTSD P07339 2/20 0.50
ACE P12821 5/20 0.49
CTSE P14091 1/20 0.48
BACE1 P56817 1/20 0.48
ACE2 Q9BYF1 4/20 0.48
F2 P00734 1/20 0.48

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
SCHEMBL2045662 1.00 REN (0.54) RENNMUR2NMUR1CTSDACE
SCHEMBL7411063 0.93 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL8060131 0.93 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL8334047 0.91 CALCRL (0.49) RENNMUR2CTSDCTSEBACE1
SCHEMBL6374240 0.89 OPRM1 (0.52) ACEACE2
SCHEMBL27499487 0.85 REN (0.49) RENNMUR2NMUR1CTSDACE
SCHEMBL5208748 0.84 CTSD (0.49) CTSDACECTSEBACE1ACE2
SCHEMBL7414240 0.83 ACE (0.49) RENCTSDACECTSEBACE1
SCHEMBL30788009 0.81 NMUR2 (0.53) NMUR2NMUR1ACEACE2
SCHEMBL8330748 0.81 ACE (0.60) ACEBACE1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed