SCHEMBL26863171

SCHEMBL26863171

CCOCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 8/20 0.55
▸ AGTR1 P30556 4/20 0.55
▸ AGTR2 P50052 2/20 0.50
▸ EDNRB P24530 1/20 0.43
▸ PPARG P37231 1/20 0.43

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
SCHEMBL4770906 0.90 AGTR1 (0.51) EDNRAAGTR1AGTR2PPARG
SCHEMBL4773767 0.90 AGTR1 (0.52) EDNRAAGTR1AGTR2EDNRB
SCHEMBL4764544 0.86 AGTR1 (0.52) EDNRAAGTR1AGTR2PPARG
SCHEMBL4769578 0.86 AGTR1 (0.48) EDNRAAGTR1AGTR2EDNRBPPARG
SCHEMBL4770187 0.86 EDNRA (0.57) EDNRAAGTR1AGTR2EDNRB
SCHEMBL4773295 0.85 AGTR1 (0.48) EDNRAAGTR1AGTR2EDNRBPPARG
SCHEMBL4773168 0.85 AGTR1 (0.47) EDNRAAGTR1AGTR2EDNRBPPARG
SCHEMBL4764391 0.84 AGTR1 (0.49) EDNRAAGTR1AGTR2EDNRBPPARG
SCHEMBL4766250 0.84 EDNRA (0.60) EDNRAAGTR1AGTR2EDNRBPPARG
SCHEMBL4764367 0.84 AGTR1 (0.48) EDNRAAGTR1AGTR2EDNRBPPARG

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
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