SCHEMBL7303004

SCHEMBL7303004

CC(C)(C)[Si](C)(C)O[C@@H](CN)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CPB2 Q96IY4 5/20 0.35
LTA4H P09960 1/20 0.34
CYP2D6 P10635 1/20 0.33
REN P00797 3/20 0.33
METAP2 P50579 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
METAP1 P53582 1/20 0.31

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
SCHEMBL9439343 1.00 CTSK (0.36) CTSKCTSSCPB2LTA4HCYP2D6
SCHEMBL7274874 0.87 CTSS (0.46) CTSKCTSSREN
SCHEMBL10777312 0.87 CTSS (0.46) CTSKCTSSREN
SCHEMBL7268415 0.82 CTSK (0.37) CTSKCTSSCPB2LTA4HREN
SCHEMBL7269844 0.80 CTSK (0.42) CTSKCTSSLTA4HCTSLCTSB
SCHEMBL7278776 0.80 CTSK (0.42) CTSKCTSSLTA4HCTSLCTSB
SCHEMBL3565758 0.80 REN (0.39) CTSKCTSSLTA4HRENMETAP2
SCHEMBL3565755 0.80 REN (0.39) CTSKCTSSLTA4HRENMETAP2
SCHEMBL7295043 0.79 GAA (0.37) CTSKCTSSRENCTSL
SCHEMBL9439337 0.79 GAA (0.37) CTSKCTSSRENCTSL

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
US-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
EP-0389898-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-03 EP disclosed