SCHEMBL7320800

SCHEMBL7320800

CCC(O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.77
CTSE P14091 8/20 0.77
CTSD P07339 7/20 0.74
PGA5 P0DJD9 5/20 0.74
PGC P20142 2/20 0.67

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
SCHEMBL7265128 0.83 REN (0.57) RENCTSECTSDPGA5PGC
SCHEMBL7265403 0.83 REN (0.57) RENCTSECTSDPGA5PGC
SCHEMBL7320803 0.82 REN (0.57) RENCTSECTSDPGA5PGC
SCHEMBL7277793 0.81 REN (0.54) RENCTSE
SCHEMBL7277782 0.81 REN (0.54) RENCTSE
SCHEMBL7272845 0.80 REN (0.54) RENCTSECTSDPGA5PGC
SCHEMBL9698149 0.80 REN (0.62) RENCTSE
SCHEMBL9554721 0.80 REN (0.69) REN
SCHEMBL7275460 0.80 REN (0.60) REN
SCHEMBL7275457 0.80 REN (0.60) 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-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