SCHEMBL7275525

SCHEMBL7275525

C=C[C@H](CC)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.50
▸ CTSD P07339 4/20 0.50
▸ CTSE P14091 4/20 0.47
▸ PGA5 P0DJD9 3/20 0.47
▸ PGC P20142 1/20 0.45

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
SCHEMBL7268859 1.00 REN (0.50) RENCTSDCTSEPGA5PGC
SCHEMBL7268982 0.92 REN (0.52) RENCTSDCTSE
SCHEMBL9555039 0.90 REN (0.50) RENCTSDCTSEPGA5PGC
SCHEMBL9555026 0.90 REN (0.50) RENCTSDCTSEPGA5PGC
SCHEMBL9554410 0.87 REN (0.49) RENCTSDCTSE
SCHEMBL9554405 0.87 REN (0.49) RENCTSDCTSE
SCHEMBL9554977 0.87 REN (0.53) RENCTSDCTSEPGA5PGC
SCHEMBL7268998 0.84 REN (0.57) REN
SCHEMBL9555293 0.84 REN (0.54) RENCTSD
SCHEMBL9554411 0.84 REN (0.47) RENCTSD

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-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 — — EP disclosed
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