SCHEMBL7297352

SCHEMBL7297352

COC(=O)CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.53
FKBP1A P62942 5/20 0.53
ACE2 Q9BYF1 4/20 0.51

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
SCHEMBL15251733 0.90 ACE (0.56) ACEFKBP1AACE2
SCHEMBL15251734 0.90 ACE (0.56) ACEFKBP1AACE2
SCHEMBL7306423 0.88 ACE (0.59) ACEACE2
SCHEMBL7297349 0.85 FKBP1A (0.54) ACEFKBP1AACE2
SCHEMBL15251803 0.81 ACE (0.59) ACEFKBP1AACE2
SCHEMBL15251802 0.81 ACE (0.59) ACEFKBP1AACE2
SCHEMBL1992452 0.80 FKBP1A (0.60) FKBP1A
SCHEMBL18806486 0.79 ACE (0.57) ACEFKBP1AACE2
SCHEMBL15251705 0.79 FKBP1A (0.53) ACEFKBP1A
SCHEMBL15251704 0.79 FKBP1A (0.53) ACEFKBP1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed