SCHEMBL7387244

SCHEMBL7387244

CC(C)C[C@@H](N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.57
ERAP2 Q6P179 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
LNPEP Q9UIQ6 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPR3 P17342 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL9442911 1.00 REN (0.57) RENERAP2ERAP1LNPEPCTSS
SCHEMBL7329599 1.00 REN (0.57) RENERAP2ERAP1LNPEPCTSS
SCHEMBL7380184 0.91 REN (0.58) RENCTSSCTSKPOLBMAPT
SCHEMBL7380187 0.91 REN (0.58) RENCTSSCTSKPOLBMAPT
SCHEMBL9443008 0.91 REN (0.58) RENCTSSCTSKPOLBMAPT
SCHEMBL10707172 0.88 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL10707175 0.88 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL5869682 0.88 REN (0.56) RENCTSSCTSKPOLBMAPT
SCHEMBL8248824 0.88 REN (0.56) RENCTSSCTSKPOLBMAPT
SCHEMBL8248827 0.88 REN (0.56) RENCTSSCTSKPOLBMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed