SCHEMBL7313196

SCHEMBL7313196

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](Cc1ccccc1)[C@H](O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.41
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ATM Q13315 1/20 0.38
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PAX8 Q06710 1/20 0.37
ACE P12821 1/20 0.37
APP P05067 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37

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
SCHEMBL7324681 1.00 REN (0.41) RENMAPTPOLBTDP1CTSS
SCHEMBL7316247 0.95 REN (0.44) RENMAPTPOLBTDP1NPSR1
SCHEMBL7317391 0.95 REN (0.44) RENMAPTPOLBTDP1NPSR1
SCHEMBL7315462 0.95 REN (0.44) RENMAPTPOLBTDP1NPSR1
SCHEMBL7309930 0.91 REN (0.46) REN
SCHEMBL7314665 0.91 REN (0.46) REN
SCHEMBL7325787 0.87 MAPT (0.42) MAPTPOLBTDP1CTSSCTSL
SCHEMBL10785485 0.86 REN (0.42) RENMAPTPOLBTDP1CTSS
SCHEMBL7312788 0.86 REN (0.46) RENMAPTPOLBTDP1NPSR1
SCHEMBL7369100 0.84 REN (0.36) RENMAPTPOLBTDP1CTSS

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 2 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 disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed