Sugi Predict

Sugi Predict / Compounds / SCHEMBL7325297

SCHEMBL7325297

SCHEMBL7325297

CC[C@H](C)[C@H](N)C(=O)N(C(=O)c1ccccn1)C(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.46
▸ CTSE P14091 1/20 0.36
▸ CTSD P07339 1/20 0.35

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
SCHEMBL10579119 0.87 REN (0.56) REN
SCHEMBL10579981 0.87 REN (0.56) REN
SCHEMBL10772344 0.82 REN (0.54) REN
SCHEMBL7316741 0.80 REN (0.45) RENCTSECTSD
SCHEMBL9755318 0.80 REN (0.57) RENCTSECTSD
SCHEMBL7318270 0.78 REN (0.51) RENCTSECTSD
SCHEMBL7364990 0.77 REN (0.51) REN
SCHEMBL7318770 0.74 REN (0.49) REN
SCHEMBL7327057 0.73 REN (0.48) RENCTSECTSD
SCHEMBL10774155 0.71 REN (0.49) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4864017-A Novel renin inhibiting peptides having a dihyroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1989-09-05 — — US claimed
EP-0237202-A2 Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1987-09-16 — — EP claimed
WO-1987005302-A1 NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT THE UPJOHN COMPANY (US) 1987-09-11 — — WO claimed
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