SCHEMBL7443267

SCHEMBL7443267

Cc1cc(C)cc(C(=O)N(C)[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.82
EDNRA P25101 12/20 0.82
ACE P12821 1/20 0.54
ECE1 P42892 1/20 0.54
TACR1 P25103 2/20 0.54

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
SCHEMBL29551459 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL18222569 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL7444422 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL8721945 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL8721943 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL18222567 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL21427022 0.94 EDNRB (0.76) EDNRBEDNRAACEECE1
SCHEMBL8721117 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1
SCHEMBL8722706 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1
SCHEMBL8722703 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed