SCHEMBL7306423

SCHEMBL7306423

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.59
ACE2 Q9BYF1 6/20 0.59
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7297352 0.88 ACE (0.53) ACEACE2
SCHEMBL15251959 0.87 ACE (0.64) ACEACE2KMT2AL3MBTL1
SCHEMBL15251960 0.87 ACE (0.64) ACEACE2KMT2AL3MBTL1
SCHEMBL18619558 0.85 ACE (0.62) ACEACE2KMT2A
SCHEMBL20485168 0.85 ACE (0.62) ACEACE2KMT2A
SCHEMBL11284016 0.81 ACE (0.56) ACEACE2KMT2AL3MBTL1
SCHEMBL11435575 0.80 ACE (0.71) ACEACE2TSHR
SCHEMBL3472327 0.80 ACE (0.71) ACEACE2TSHR
SCHEMBL29749309 0.80 ACE (0.71) ACEACE2TSHR
SCHEMBL18620607 0.80 ACE (0.57) ACEACE2

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