SCHEMBL7305026

SCHEMBL7305026

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
REN P00797 11/20 0.38
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
CYP3A4 P08684 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 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
SCHEMBL10448350 1.00 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL10407971 1.00 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL7299781 0.83 CTSS (0.45) CTSSCTSKRENCTSDCTSE
SCHEMBL7264769 0.82 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL10407740 0.82 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7274874 0.82 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL9819706 0.82 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL7272354 0.82 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL10777312 0.82 CTSS (0.46) CTSSCTSKRENCTSDCTSE
SCHEMBL7273164 0.81 CTSK (0.53) CTSSCTSKRENCTSDCTSE

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417698-B1 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AG (DE) 1996-03-13 EP disclosed
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5360791-A Renin-inhibiting aminodiol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0519434-A2 Heterocyclic compounds with renin inhibiting properties, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 US disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
EP-0394853-A1 Dipeptide-derivatives with enzym-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed