SCHEMBL7329901

SCHEMBL7329901

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56
CTSD P07339 1/20 0.44
PGA5 P0DJD9 1/20 0.44
CTSE P14091 1/20 0.44
PGC P20142 1/20 0.44

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
SCHEMBL7331214 0.93 REN (0.58) RENCTSDPGA5CTSEPGC
SCHEMBL7334448 0.88 REN (0.60) RENCTSDPGA5CTSEPGC
SCHEMBL7326151 0.87 REN (0.60) RENCTSDPGA5CTSEPGC
SCHEMBL7335814 0.87 REN (0.71) RENCTSDPGA5CTSEPGC
SCHEMBL7328163 0.87 REN (0.59) REN
SCHEMBL7328969 0.87 REN (0.52) RENCTSDPGA5CTSEPGC
SCHEMBL7357485 0.86 REN (0.52) RENCTSDPGA5CTSEPGC
SCHEMBL7329814 0.86 REN (0.55) RENCTSDPGA5CTSEPGC
SCHEMBL7326315 0.85 REN (0.78) RENCTSDPGA5CTSEPGC
SCHEMBL7326379 0.85 REN (0.69) RENCTSDPGA5CTSEPGC

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-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 EP disclosed