SCHEMBL7402039

SCHEMBL7402039

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.57
▸ EDNRA P25101 1/20 0.54
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 10/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CASP10 Q92851 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PCSK9 Q8NBP7 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
SCHEMBL7402043 1.00 MAGI3 (0.57) MAGI3EDNRAACEECE1CASP1
SCHEMBL7402303 0.98 ACE (0.55) MAGI3EDNRAACEECE1
SCHEMBL7402300 0.98 ACE (0.55) MAGI3EDNRAACEECE1
SCHEMBL7401397 0.93 EDNRA (0.62) MAGI3EDNRAACEECE1CASP1
SCHEMBL7495576 0.93 MAGI3 (0.65) MAGI3EDNRAACEECE1CASP1
SCHEMBL7495581 0.93 MAGI3 (0.65) MAGI3EDNRAACEECE1CASP1
SCHEMBL7401403 0.93 EDNRA (0.62) MAGI3EDNRAACEECE1CASP1
SCHEMBL7396714 0.91 MAGI3 (0.63) MAGI3EDNRAACEECE1CASP1
SCHEMBL7396710 0.91 MAGI3 (0.63) MAGI3EDNRAACEECE1CASP1
SCHEMBL29366452 0.89 PCSK9 (0.52) MAGI3EDNRAACEECE1KMT2A

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
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