Sugi Predict

Sugi Predict / Compounds / SCHEMBL7322193

SCHEMBL7322193

SCHEMBL7322193

CCN(C)CCC(O)CC(O)C(CC1CCCCC1)N(C(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.38
▸ CTSE P14091 5/20 0.38
▸ CTSD P07339 5/20 0.35
▸ PGA5 P0DJD9 3/20 0.35
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7320803 0.78 REN (0.57) RENCTSECTSDPGA5
SCHEMBL9556000 0.76 REN (0.46) RENCTSECTSDPGA5LMNA
SCHEMBL9556283 0.75 CTSE (0.55) RENCTSECTSDPGA5LMNA
SCHEMBL7315594 0.75 REN (0.45) RENCTSECTSDPGA5LMNA
SCHEMBL7385303 0.66 REN (0.47) REN
SCHEMBL7316049 0.66 REN (0.42) REN
SCHEMBL9575192 0.66 REN (0.39) REN
SCHEMBL7322473 0.63 REN (0.37) REN
SCHEMBL9641474 0.63 OPRM1 (0.36) REN
SCHEMBL7320800 0.63 REN (0.77) RENCTSECTSDPGA5

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-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 — — US disclosed
EP-0380805-A1 Renin inhibitors containing C-terminal dihydroxy amides WARNER-LAMBERT COMPANY (US) 1990-08-08 — — EP disclosed
WO-1990007521-A1 RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1990-07-12 — — WO disclosed
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