SCHEMBL7448289

SCHEMBL7448289

CC(C)CC(S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)C(=O)O)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.58
ACE P12821 3/20 0.58
CPA1 P15085 3/20 0.58
ACE2 Q9BYF1 3/20 0.58
ECE1 P42892 15/20 0.57
ITGA4 P13612 2/20 0.52
ITGB1 P05556 1/20 0.52
ITGB7 P26010 1/20 0.46

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
SCHEMBL7230086 0.88 ECE1 (0.60) MMEACECPA1ACE2ECE1
SCHEMBL7454422 0.84 ECE1 (0.63) MMEACECPA1ACE2ECE1
SCHEMBL7230545 0.83 ECE1 (0.63) MMEACECPA1ACE2ECE1
SCHEMBL7223987 0.82 ECE1 (0.69) MMEACECPA1ACE2ECE1
SCHEMBL7454534 0.82 ECE1 (0.80) MMEACECPA1ACE2ECE1
SCHEMBL7224426 0.81 MME (0.68) MMEACECPA1ACE2ECE1
SCHEMBL7229963 0.79 ECE1 (0.82) MMEACECPA1ACE2ECE1
SCHEMBL7975857 0.79 ECE1 (0.57) MMEACECPA1ACE2ECE1
SCHEMBL7221922 0.79 MME (0.72) MMEACECPA1ACE2ECE1
SCHEMBL7224058 0.78 ECE1 (0.61) MMEACECPA1ACE2ECE1

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-6423727-B1 Certain thiol inhibitors of endothelin-converting enzyme NOVARTIS AG (CH) 2002-07-23 US disclosed
EP-1073674-A1 THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-02-07 EP disclosed
WO-1999055726-A1 CERTAIN THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO disclosed