SCHEMBL8804680

SCHEMBL8804680

COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(NS(=O)(=O)c4ccccc4)ccc23)cc1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.86

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
SCHEMBL8805398 0.93 EDNRB (1.00) EDNRB
SCHEMBL8805529 0.92 EDNRB (0.74) EDNRB
SCHEMBL8806259 0.90 EDNRB (0.84) EDNRB
SCHEMBL8805492 0.88 EDNRB (0.81) EDNRB
SCHEMBL8803781 0.84 EDNRB (1.00) EDNRB
SCHEMBL6314933 0.84 EDNRB (1.00) EDNRB
SCHEMBL8805861 0.84 EDNRB (0.84) EDNRB
SCHEMBL8803777 0.83 EDNRB (0.72) EDNRB
SCHEMBL8804652 0.82 EDNRB (1.00) EDNRB
SCHEMBL8804018 0.78 EDNRB (0.86) EDNRB

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
US-5700807-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 EP disclosed