SCHEMBL7312780

SCHEMBL7312780

CC(C)C[C@@H](C(O)c1c[nH]cn1)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.43
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACE P12821 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
APP P05067 1/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 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
SCHEMBL7312788 0.86 REN (0.46) RENMAPK1POLBMAPTATM
SCHEMBL7366211 0.80 REN (0.55) REN
Histidine SCHEMBL10660498 0.80 ACE (0.56) RENMAPK1POLBMAPTTDP1
Histidine SCHEMBL10661313 0.78 ACE (0.45) RENMAPK1ACEPSEN1PSEN2
SCHEMBL7316247 0.78 REN (0.44) RENMAPK1POLBMAPTATM
SCHEMBL7315462 0.78 REN (0.44) RENMAPK1POLBMAPTATM
SCHEMBL7317391 0.78 REN (0.44) RENMAPK1POLBMAPTATM
SCHEMBL28846075 0.77 ACE (0.53) RENMAPK1POLBMAPTTDP1
SCHEMBL7319704 0.77 REN (0.41) REN
SCHEMBL7319700 0.77 REN (0.41) 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 1 patent. 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