SCHEMBL7265165

SCHEMBL7265165

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 16/20 0.49
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
AAK1 Q2M2I8 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
SCHEMBL10520875 0.92 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL7267275 0.92 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL7297295 0.90 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL6448979 0.90 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL9848334 0.90 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL8536013 0.90 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL7329863 0.89 REN (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.88 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7266599 0.86 REN (0.58) CTSSCTSKREN
SCHEMBL6696371 0.86 REN (0.58) CTSSCTSKREN

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
EP-0483271-B1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-08-25 EP disclosed
WO-1992006996-A1 PEPTIDES CONTAINING SUBSTITUTED 1,4-DIAMINES AS TRANSITION-STATE INSERTS THE UPJOHN COMPANY (US) 1992-04-30 WO disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
WO-1991001327-A1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1991-02-07 WO disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US 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
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed