SCHEMBL7298963

SCHEMBL7298963

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.41
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38

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
SCHEMBL9556804 1.00 REN (0.41) RENCTSDCTSE
SCHEMBL7302831 1.00 REN (0.41) RENCTSDCTSE
SCHEMBL9556796 1.00 REN (0.41) RENCTSDCTSE
SCHEMBL7289817 1.00 REN (0.41) RENCTSDCTSE
SCHEMBL9225629 0.91 REN (0.40) REN
SCHEMBL7283971 0.91 REN (0.42) REN
SCHEMBL7282601 0.91 REN (0.42) REN
SCHEMBL7295284 0.88 REN (0.53) REN
SCHEMBL7293156 0.88 REN (0.53) REN
SCHEMBL7290037 0.86 REN (0.40) 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 3 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-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