SCHEMBL7288116

SCHEMBL7288116

CCCCOC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
CTSL P07711 3/20 0.53
CTSK P43235 4/20 0.52
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
CTSS P25774 2/20 0.51
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
CTSB P07858 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7288109 1.00 ACE (0.54) ACEACE2CTSLCTSKCNR1
SCHEMBL7361995 0.91 ACE (0.55) ACEACE2CTSLCTSKCTSS
SCHEMBL349653 0.90 ACE (0.52) ACEACE2CTSLCTSKCTSS
SCHEMBL844471 0.89 ITGB3 (0.58) ACEACE2CTSLCTSKCTSS
SCHEMBL2185240 0.89 ITGB3 (0.58) ACEACE2CTSLCTSKCTSS
SCHEMBL7758997 0.89 ITGB3 (0.58) ACEACE2CTSLCTSKCTSS
SCHEMBL10688246 0.88 QRFPR (0.47) ACEACE2CNR1CNR2POLB
SCHEMBL3652453 0.88 POLB (0.62) ACEACE2CTSKCNR2POLB
SCHEMBL4385669 0.88 POLB (0.62) ACEACE2CTSKCNR2POLB
SCHEMBL4362555 0.87 CTSK (0.54) ACEACE2CTSLCTSKCTSS

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-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed