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SCHEMBL7442800

SCHEMBL7442800

Cc1cc(C)cc(C(=O)N(C)[C@@H](Cc2ccc(-c3ccno3)cc2)C(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)S(=O)(=O)c2ccc(O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 19/20 0.64
▸ EDNRA P25101 19/20 0.64

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
SCHEMBL27471442 0.95 EDNRB (0.69) EDNRBEDNRA
SCHEMBL7441177 0.95 EDNRB (0.69) EDNRBEDNRA
SCHEMBL27469984 0.95 EDNRB (0.69) EDNRBEDNRA
SCHEMBL7450574 0.91 EDNRB (0.65) EDNRBEDNRA
SCHEMBL7437700 0.91 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7445313 0.91 EDNRB (0.65) EDNRBEDNRA
SCHEMBL7439520 0.91 EDNRB (0.63) EDNRBEDNRA
SCHEMBL7442180 0.90 EDNRB (0.68) EDNRBEDNRA
SCHEMBL7442258 0.90 EDNRB (0.63) EDNRBEDNRA
SCHEMBL27454120 0.90 EDNRB (0.63) 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-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
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 — — US disclosed
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