SCHEMBL7271640

SCHEMBL7271640

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.49
REN P00797 4/20 0.45
METAP2 P50579 5/20 0.42
METAP1 P53582 3/20 0.37
CPB2 Q96IY4 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL10408931 1.00 CTSD (0.49) CTSDRENMETAP2METAP1CPB2
SCHEMBL9831134 0.84 REN (0.51) CTSDRENMETAP2METAP1CPB2
SCHEMBL10608625 0.84 REN (0.51) CTSDRENMETAP2METAP1CPB2
Hydrochloric Acid SCHEMBL9832396 0.82 REN (0.50) CTSDRENMETAP2METAP1CPB2
SCHEMBL7284052 0.81 REN (0.47) CTSDRENMETAP2METAP1CPB2
SCHEMBL7272512 0.78 REN (0.48) CTSDRENMETAP2METAP1CPB2
Acetic Acid SCHEMBL7273055 0.78 REN (0.45) RENMETAP2METAP1CPB2
SCHEMBL10606263 0.77 CTSD (0.44) CTSDRENMETAP2METAP1CPB2
SCHEMBL9833496 0.77 CTSD (0.44) CTSDRENMETAP2METAP1CPB2
Acetic Acid SCHEMBL7294621 0.77 REN (0.46) CTSDRENMETAP2METAP1CPB2

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 14 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
EP-0552247-A1 PEPTIDES CONTAINING SUBSTITUTED 1,4-DIAMINES AS TRANSITION-STATE INSERTS THE UPJOHN COMPANY (US) 1993-07-28 EP disclosed
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 EP disclosed
WO-1992006996-A1 PEPTIDES CONTAINING SUBSTITUTED 1,4-DIAMINES AS TRANSITION-STATE INSERTS THE UPJOHN COMPANY (US) 1992-04-30 WO disclosed
WO-1992003472-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1992-03-05 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-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US 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