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SCHEMBL27508608

SCHEMBL27508608

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)CCC(N)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 19/20 0.65
▸ EDNRA P25101 19/20 0.65

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
SCHEMBL7450486 1.00 EDNRB (0.65) EDNRBEDNRA
SCHEMBL7446747 0.94 EDNRB (0.66) EDNRBEDNRA
SCHEMBL27453256 0.94 EDNRB (0.66) EDNRBEDNRA
SCHEMBL7446716 0.93 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7450549 0.91 EDNRB (0.69) EDNRBEDNRA
SCHEMBL7450442 0.91 EDNRB (0.69) EDNRBEDNRA
SCHEMBL7439705 0.91 EDNRB (0.65) EDNRBEDNRA
SCHEMBL7441177 0.90 EDNRB (0.69) EDNRBEDNRA
SCHEMBL27469984 0.90 EDNRB (0.69) EDNRBEDNRA
SCHEMBL27471442 0.90 EDNRB (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 — — CN claimed