SCHEMBL8300095

SCHEMBL8300095

C[C@H](CSC(=O)CNC(=O)CCCN=O)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(CON(O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.37
ACE P12821 7/20 0.34
BCHE P06276 2/20 0.34
LMNA P02545 1/20 0.34
PRCP P42785 1/20 0.34
ACE2 Q9BYF1 3/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32

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
SCHEMBL8301478 0.92 FKBP1A (0.37) FKBP1AACEBCHELMNAPRCP
SCHEMBL8303703 0.85 ACE (0.43) FKBP1AACELMNAACE2PRSS1
SCHEMBL8300106 0.84 FKBP1A (0.38) FKBP1AACELMNAACE2PRSS1
SCHEMBL8303941 0.84 FKBP1A (0.39) FKBP1AACELMNAACE2PRSS1
SCHEMBL8299270 0.82 ACE (0.36) FKBP1AACELMNAACE2
SCHEMBL14600129 0.81 TMEM97 (0.36) FKBP1AACEBCHEPRCPACE2
SCHEMBL8301474 0.81 ACE (0.36) FKBP1AACELMNAACE2
SCHEMBL14600132 0.81 TMEM97 (0.37) FKBP1AACEBCHEPRCPACE2
SCHEMBL8301496 0.80 FKBP1A (0.38) FKBP1AACELMNAACE2
SCHEMBL8299271 0.80 FKBP1A (0.38) FKBP1AACELMNAACE2

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-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO disclosed