SCHEMBL7325787

SCHEMBL7325787

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ATM Q13315 1/20 0.41
PAX8 Q06710 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
KLK5 Q9Y337 1/20 0.39
HCRTR1 O43613 1/20 0.38
AKT1 P31749 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL7313196 0.87 REN (0.41) MAPTTDP1POLBNPSR1ATM
SCHEMBL7324681 0.87 REN (0.41) MAPTTDP1POLBNPSR1ATM
SCHEMBL7316247 0.84 REN (0.44) MAPTTDP1POLBNPSR1ATM
SCHEMBL7317391 0.84 REN (0.44) MAPTTDP1POLBNPSR1ATM
SCHEMBL7315462 0.84 REN (0.44) MAPTTDP1POLBNPSR1ATM
SCHEMBL7314665 0.80 REN (0.46)
SCHEMBL7309930 0.80 REN (0.46)
SCHEMBL7324676 0.80 REN (0.48) CTSSCTSLCTSBCTSK
SCHEMBL7324744 0.80 REN (0.48) CTSSCTSLCTSBCTSK
SCHEMBL7316242 0.78 REN (0.53)

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