SCHEMBL7300079

SCHEMBL7300079

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
METAP2 P50579 8/20 0.40
METAP1 P53582 4/20 0.40
CTSK P43235 4/20 0.38
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSH P09668 2/20 0.36
DPP4 P27487 1/20 0.34

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
SCHEMBL7294628 0.82 REN (0.39) RENMETAP2METAP1CTSKCTSL
SCHEMBL7281935 0.80 CTSK (0.40) RENMETAP2METAP1CTSKCTSL
Acetic Acid SCHEMBL7300070 0.78 REN (0.49) RENMETAP2METAP1
SCHEMBL435530 0.75 CTSK (0.43) METAP2METAP1CTSKCTSLCTSB
SCHEMBL5709584 0.74 REN (0.41) RENMETAP2METAP1CTSKCTSL
SCHEMBL7301592 0.73 REN (0.49) RENMETAP2METAP1
SCHEMBL7272185 0.73 REN (0.49) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9848324 0.72 REN (0.47) RENMETAP2METAP1
SCHEMBL10408952 0.72 METAP2 (0.55) RENMETAP2METAP1
SCHEMBL7338344 0.71 REN (0.44) RENMETAP2METAP1CTSKCTSL

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-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed