SCHEMBL13086707

SCHEMBL13086707

CNC1CCC2SC[C@@H](C(C)=O)N2C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.37
F2 P00734 8/20 0.37
F10 P00742 2/20 0.37
CASP3 P42574 2/20 0.36
CASP1 P29466 1/20 0.35
XIAP P98170 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL10049253 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL8277312 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL10131995 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL12253679 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL10132024 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL10161363 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL13086471 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL12581451 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL12766048 1.00 ACE (0.37) ACEF2F10CASP3CASP1
SCHEMBL13815127 0.92 ACE (0.45) ACEF2F10CASP3CASP1

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
WO-2010120476-A2 N-TERMINUS CONFORMATIONALLY CONSTRAINED GLP-1 RECEPTOR AGONIST COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 2010-10-21 WO disclosed