SCHEMBL7314710

SCHEMBL7314710

CC(C)C[C@@H]([C@@H](O)c1nccs1)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.43
MAPK1 P28482 1/20 0.40
APP P05067 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7319702 0.89 REN (0.43) REN
SCHEMBL7312788 0.89 REN (0.46) RENMAPK1APPPSEN1PSEN2
SCHEMBL7317391 0.88 REN (0.44) RENMAPK1APPPSEN1PSEN2
SCHEMBL7315462 0.88 REN (0.44) RENMAPK1APPPSEN1PSEN2
SCHEMBL7316247 0.88 REN (0.44) RENMAPK1APPPSEN1PSEN2
SCHEMBL7324681 0.83 REN (0.41) RENAPPPSEN1PSEN2APH1B
SCHEMBL7313196 0.83 REN (0.41) RENAPPPSEN1PSEN2APH1B
SCHEMBL10785485 0.82 REN (0.42) RENAPPPSEN1PSEN2APH1B
SCHEMBL10766577 0.82 REN (0.44) RENMAPK1APPPSEN1PSEN2
SCHEMBL7314705 0.81 REN (0.52) REN

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
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP claimed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP claimed
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed