SCHEMBL7316247

SCHEMBL7316247

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.44
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCKBR P32239 2/20 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
SCHEMBL7315462 1.00 REN (0.44) RENMAPK1POLBMAPTATM
SCHEMBL7317391 1.00 REN (0.44) RENMAPK1POLBMAPTATM
SCHEMBL7324681 0.95 REN (0.41) RENPOLBMAPTATMNPSR1
SCHEMBL7313196 0.95 REN (0.41) RENPOLBMAPTATMNPSR1
SCHEMBL7312788 0.92 REN (0.46) RENMAPK1POLBMAPTATM
SCHEMBL7309930 0.89 REN (0.46) REN
SCHEMBL7314665 0.89 REN (0.46) REN
SCHEMBL7314710 0.88 REN (0.43) RENMAPK1POLBMAPTATM
SCHEMBL7325787 0.84 MAPT (0.42) POLBMAPTATMNPSR1TDP1
SCHEMBL10785485 0.83 REN (0.42) RENPOLBMAPTTDP1APP

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