SCHEMBL7445585

SCHEMBL7445585

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NS(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.84
EDNRA P25101 16/20 0.84
TACR1 P25103 2/20 0.49

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
SCHEMBL8860873 0.92 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7450437 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7446167 0.90 EDNRB (0.83) EDNRBEDNRATACR1
SCHEMBL7446854 0.89 EDNRB (0.70) EDNRBEDNRATACR1
SCHEMBL7437360 0.89 EDNRB (0.79) EDNRBEDNRATACR1
SCHEMBL18222569 0.88 EDNRB (0.82) EDNRBEDNRATACR1
SCHEMBL7443267 0.88 EDNRB (0.82) EDNRBEDNRATACR1
SCHEMBL7444422 0.88 EDNRB (0.82) EDNRBEDNRATACR1
SCHEMBL29551459 0.88 EDNRB (0.82) EDNRBEDNRATACR1
SCHEMBL7431474 0.88 EDNRB (0.75) EDNRBEDNRATACR1

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 claimed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO claimed