SCHEMBL30757385

SCHEMBL30757385

CCCCC1=NC2(CCCC2)C(=O)N1Cc1cc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc2cnccc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.65
AGTR1 P30556 4/20 0.65
AGTR2 P50052 2/20 0.48
EDNRB P24530 1/20 0.44
ACHE P22303 5/20 0.42
LTB4R2 Q9NPC1 2/20 0.41

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
SCHEMBL26688750 1.00 EDNRA (0.65) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL5527092 0.86 EDNRA (0.70) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL5529443 0.85 EDNRA (0.69) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL30757466 0.84 EDNRA (0.48) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL26688857 0.84 EDNRA (0.48) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL4772943 0.84 EDNRA (0.79) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6539684 0.83 EDNRA (0.89) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL27418899 0.82 EDNRA (0.74) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL29706543 0.82 EDNRA (0.87) EDNRAAGTR1AGTR2EDNRBACHE
SCHEMBL5791243 0.82 EDNRA (0.87) EDNRAAGTR1AGTR2EDNRBACHE

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
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed