SCHEMBL7401944

SCHEMBL7401944

CC[C@H](C)[C@H](NC(C)=O)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)C(C)C)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.56
EDNRA P25101 1/20 0.55
ACE P12821 2/20 0.51
ECE1 P42892 12/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7401959 0.91 EDNRA (0.67) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7394463 0.90 MAGI3 (0.64) MAGI3EDNRAACEECE1KMT2A
SCHEMBL30208645 0.87 EDNRA (0.64) MAGI3EDNRAACEECE1KMT2A
SCHEMBL9069561 0.87 MAGI3 (0.62) MAGI3EDNRAACEECE1KMT2A
SCHEMBL9068986 0.87 MAGI3 (0.62) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7400063 0.84 MAGI3 (0.59) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7495581 0.84 MAGI3 (0.65) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7495576 0.84 MAGI3 (0.65) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7400060 0.84 MAGI3 (0.59) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7402345 0.83 EDNRA (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO claimed