SCHEMBL7401403

SCHEMBL7401403

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.62
▸ MAGI3 Q5TCQ9 1/20 0.57
▸ CASP1 P29466 2/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ CASP4 P49662 1/20 0.54
▸ CASP5 P51878 1/20 0.54
▸ CASP9 P55211 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ CASP10 Q92851 1/20 0.54
▸ ERBB2 P04626 1/20 0.53
▸ PCSK9 Q8NBP7 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ ACE P12821 2/20 0.49
▸ ECE1 P42892 3/20 0.49
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 1/20 0.48

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
SCHEMBL7401397 1.00 EDNRA (0.62) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7396714 0.95 MAGI3 (0.63) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7396710 0.95 MAGI3 (0.63) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7402043 0.93 MAGI3 (0.57) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7402039 0.93 MAGI3 (0.57) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7442640 0.93 EDNRA (0.69) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7442648 0.93 EDNRA (0.69) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7402303 0.92 ACE (0.55) EDNRAMAGI3ACEECE1
SCHEMBL7402300 0.92 ACE (0.55) EDNRAMAGI3ACEECE1
SCHEMBL7392686 0.88 MAGI3 (0.72) EDNRAMAGI3CASP1CASP3CASP7

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
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