SCHEMBL7402303

SCHEMBL7402303

CC[C@H](C)[C@H](N)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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ MAGI3 Q5TCQ9 1/20 0.55
▸ ECE1 P42892 14/20 0.52
▸ EDNRA P25101 1/20 0.52

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
SCHEMBL7402300 1.00 ACE (0.55) ACEMAGI3ECE1EDNRA
SCHEMBL7402043 0.98 MAGI3 (0.57) ACEMAGI3ECE1EDNRA
SCHEMBL7402039 0.98 MAGI3 (0.57) ACEMAGI3ECE1EDNRA
SCHEMBL7401397 0.92 EDNRA (0.62) ACEMAGI3ECE1EDNRA
SCHEMBL7401403 0.92 EDNRA (0.62) ACEMAGI3ECE1EDNRA
SCHEMBL7495581 0.92 MAGI3 (0.65) ACEMAGI3ECE1EDNRA
SCHEMBL7495576 0.92 MAGI3 (0.65) ACEMAGI3ECE1EDNRA
SCHEMBL7396714 0.89 MAGI3 (0.63) ACEMAGI3ECE1EDNRA
SCHEMBL7396710 0.89 MAGI3 (0.63) ACEMAGI3ECE1EDNRA
SCHEMBL30838790 0.88 ACE (0.67) ACEECE1

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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