SCHEMBL7329529

SCHEMBL7329529

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.50
CTSD P07339 1/20 0.40
PGA5 P0DJD9 1/20 0.40
CTSE P14091 1/20 0.40
PGC P20142 1/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL9554910 0.91 REN (0.42) RENCTSDCTSE
SCHEMBL10510052 0.91 REN (0.42) RENCTSDCTSE
SCHEMBL9554322 0.89 REN (0.41) RENCTSDPGA5CTSEPGC
SCHEMBL9554457 0.89 REN (0.41) RENCTSDPGA5CTSEPGC
SCHEMBL9555200 0.89 REN (0.41) RENCTSDPGA5CTSEPGC
SCHEMBL7326504 0.89 REN (0.53) RENCTSDPGA5CTSEPGC
SCHEMBL7266011 0.89 PSEN1 (0.49) RENCCR1
SCHEMBL7295284 0.89 REN (0.53) REN
SCHEMBL7293156 0.89 REN (0.53) REN
SCHEMBL7266006 0.89 PSEN1 (0.49) RENCCR1

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