SCHEMBL7326151

SCHEMBL7326151

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.60
CTSD P07339 1/20 0.43
PGA5 P0DJD9 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43

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
SCHEMBL7335979 0.93 REN (0.53) REN
SCHEMBL7334448 0.92 REN (0.60) RENCTSDPGA5CTSEPGC
SCHEMBL9523190 0.91 REN (0.56) REN
SCHEMBL7326156 0.90 REN (0.54) RENCTSDPGA5CTSEPGC
SCHEMBL7328163 0.90 REN (0.59) REN
SCHEMBL7336297 0.88 REN (0.54) REN
SCHEMBL7329901 0.87 REN (0.56) RENCTSDPGA5CTSEPGC
SCHEMBL7331214 0.87 REN (0.58) RENCTSDPGA5CTSEPGC
SCHEMBL7335814 0.87 REN (0.71) RENCTSDPGA5CTSEPGC
SCHEMBL7363064 0.87 REN (0.59) 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 2 patents. 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 claimed
EP-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 EP disclosed