SCHEMBL8722706

SCHEMBL8722706

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

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.76
EDNRA P25101 12/20 0.76
ERAP1 Q9NZ08 2/20 0.53
ERAP2 Q6P179 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
ACE P12821 1/20 0.53
TACR1 P25103 2/20 0.53

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
SCHEMBL8722703 1.00 EDNRB (0.76) EDNRBEDNRAERAP1ERAP2LNPEP
SCHEMBL18222567 0.95 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL8721943 0.95 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL8721945 0.95 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL29551459 0.94 EDNRB (0.82) EDNRBEDNRAACETACR1
SCHEMBL7443267 0.94 EDNRB (0.82) EDNRBEDNRAACETACR1
SCHEMBL18222569 0.94 EDNRB (0.82) EDNRBEDNRAACETACR1
SCHEMBL7444422 0.94 EDNRB (0.82) EDNRBEDNRAACETACR1
SCHEMBL8721117 0.93 EDNRB (0.76) EDNRBEDNRAERAP2ACETACR1
SCHEMBL27456963 0.93 EDNRB (0.66) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed