SCHEMBL7266293

SCHEMBL7266293

CC(C)OC[C@@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
METAP1 P53582 1/20 0.40
REN P00797 2/20 0.34
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7266321 1.00 METAP2 (0.44) METAP2METAP1RENSLC1A3SLC1A2
SCHEMBL7264762 0.77 METAP2 (0.41) METAP2METAP1REN
SCHEMBL7266597 0.77 METAP2 (0.41) METAP2METAP1REN
SCHEMBL3719549 0.76 METAP2 (0.50) METAP2METAP1RENCYP1A2
SCHEMBL3719547 0.76 METAP2 (0.50) METAP2METAP1RENCYP1A2
SCHEMBL7852214 0.76 METAP2 (0.50) METAP2METAP1RENCYP1A2
SCHEMBL7266557 0.74 REN (0.45) METAP2METAP1REN
SCHEMBL7283383 0.74 METAP1 (0.42) METAP2METAP1RENCYP1A2
SCHEMBL13724320 0.71 METAP1 (0.58) METAP2METAP1CYP1A2
SCHEMBL17613550 0.71 METAP1 (0.48) METAP2METAP1CYP1A2

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-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-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