SCHEMBL7302617

SCHEMBL7302617

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.45
FKBP1A P62942 10/20 0.40
F2 P00734 3/20 0.39
MTOR P42345 1/20 0.37
FKBP4 Q02790 1/20 0.37
FKBP5 Q13451 1/20 0.37

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
SCHEMBL7324515 0.92 ACE (0.46) ACEFKBP1AF2MTORFKBP4
SCHEMBL7304579 0.85 SPHK2 (0.43) ACEFKBP1AF2
SCHEMBL7303956 0.85 CPT2 (0.42) ACEF2
SCHEMBL7302024 0.82 ACE (0.47) ACEFKBP1AF2
Hydrochloric Acid SCHEMBL7303227 0.80 ACE (0.41) ACEFKBP1AF2MTORFKBP4
SCHEMBL7296963 0.78 ACE (0.40) ACEFKBP1A
SCHEMBL7338057 0.78 ACE (0.38) ACEF2
SCHEMBL7298264 0.76 ACE (0.45) ACEF2
SCHEMBL7302798 0.76 SPHK2 (0.44) ACEFKBP1A
SCHEMBL7297128 0.76 CPT2 (0.44) ACE

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 disclosed