SCHEMBL7319463

SCHEMBL7319463

CNC[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
REN P00797 15/20 0.46
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7284721 0.89 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL12920129 0.88 CTSK (0.41) CTSSCTSKRENCTSDCTSE
SCHEMBL4430800 0.88 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL3606572 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL13306504 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL12920120 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL8225301 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606570 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606578 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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