SCHEMBL7395342

SCHEMBL7395342

CCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.81
ACE P12821 3/20 0.60
MAGI3 Q5TCQ9 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ECE1 P42892 10/20 0.56
ALOX15 P16050 1/20 0.56
ERAP2 Q6P179 1/20 0.54

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
SCHEMBL7395344 1.00 EDNRA (0.81) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL30533185 0.99 EDNRA (0.82) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL30533187 0.96 EDNRA (0.78) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL7400886 0.94 EDNRA (0.76) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL7400884 0.94 EDNRA (0.76) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL7397165 0.92 EDNRA (0.73) EDNRAMAGI3ECE1
SCHEMBL30533192 0.92 EDNRA (0.73) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL7397607 0.92 EDNRA (0.72) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL30533193 0.91 EDNRA (0.84) EDNRAACEMAGI3KMT2AL3MBTL1
SCHEMBL7400882 0.91 EDNRA (0.71) EDNRAACEMAGI3KMT2AL3MBTL1

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
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US claimed
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed