SCHEMBL7304387

SCHEMBL7304387

N=C(NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)CCc1cccnc1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.46
F2 P00734 5/20 0.44
FKBP1A P62942 3/20 0.42
PLG P00747 1/20 0.41
CASP1 P29466 1/20 0.40
PRCP P42785 1/20 0.39
CTRB1 P17538 1/20 0.39
FAP Q12884 1/20 0.38
TGM2 P21980 1/20 0.38
KMT2A Q03164 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL7295927 0.93 F2 (0.49) ACEF2FKBP1APLGCASP1
SCHEMBL7304353 0.90 ACE (0.49) ACEF2FKBP1APRCPCTRB1
SCHEMBL7297974 0.86 ACE (0.42) ACEF2PLGCASP1PRCP
SCHEMBL7302872 0.86 ACE (0.44) ACEF2FKBP1APLGCASP1
Hydrochloric Acid SCHEMBL9226349 0.85 F2 (0.52) ACEF2FKBP1APLG
SCHEMBL7294595 0.83 KMT2A (0.45) ACEF2PLGCASP1PRCP
SCHEMBL7302024 0.83 ACE (0.47) ACEF2FKBP1APLGCASP1
SCHEMBL7297377 0.83 F2 (0.50) ACEF2FKBP1APRCPCTRB1
SCHEMBL7298681 0.80 GAA (0.40) ACEF2PLGCASP1FAP
SCHEMBL7298055 0.79 F2 (0.61) F2PLGCASP1PRCPCTRB1

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-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP claimed