SCHEMBL7280570

SCHEMBL7280570

CCCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.46
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SLC15A1 P46059 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL7289862 1.00 REN (0.46) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL7290166 0.87 REN (0.47) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL7276448 0.87 REN (0.49) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL9252929 0.87 REN (0.49) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL7283961 0.87 REN (0.47) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL9226159 0.77 REN (0.45) RENCTSK
SCHEMBL9226154 0.77 REN (0.45) RENCTSK
SCHEMBL7280734 0.77 REN (0.45) RENCTSK
SCHEMBL29641088 0.77 CPB2 (0.49) RENMETAP2ALDH1A1KMT2ACTSL
SCHEMBL7283265 0.73 REN (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 US disclosed
EP-0332008-A2 Peptide-like aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed