SCHEMBL7266557

SCHEMBL7266557

CC(C)S(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
METAP2 P50579 2/20 0.43
METAP1 P53582 1/20 0.41

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
SCHEMBL7304096 0.81 REN (0.50) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7358175 0.80 REN (0.49) RENMETAP2METAP1
SCHEMBL7431264 0.75 METAP1 (0.46) RENMETAP2METAP1
SCHEMBL7266293 0.74 METAP2 (0.44) RENMETAP2METAP1
SCHEMBL7266597 0.74 METAP2 (0.41) RENMETAP2METAP1
SCHEMBL7266321 0.74 METAP2 (0.44) RENMETAP2METAP1
SCHEMBL7264762 0.74 METAP2 (0.41) RENMETAP2METAP1
SCHEMBL3719549 0.73 METAP2 (0.50) RENMETAP2METAP1
SCHEMBL3719547 0.73 METAP2 (0.50) RENMETAP2METAP1
SCHEMBL7852214 0.73 METAP2 (0.50) RENMETAP2METAP1

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