SCHEMBL7280845

SCHEMBL7280845

C=CCCC[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.60
PSEN1 P49768 3/20 0.60
PSEN2 P49810 3/20 0.60
APH1B Q8WW43 3/20 0.60
NCSTN Q92542 3/20 0.60
APH1A Q96BI3 3/20 0.60
PSENEN Q9NZ42 3/20 0.60
APP P05067 1/20 0.60
KLK5 Q9Y337 3/20 0.51
CCR1 P32246 4/20 0.48

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
SCHEMBL6312225 0.87 PSEN1 (0.72) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7278743 0.84 PSEN1 (0.75) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7392856 0.81 KLK5 (0.67) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL22036248 0.80 KLK5 (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7439457 0.80 PSEN1 (0.63) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7439460 0.80 PSEN1 (0.63) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7301081 0.79 PSEN1 (0.74) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7789578 0.79 KLK5 (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9016587 0.79 KLK5 (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5371202 0.79 KLK5 (0.62) RENPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed