SCHEMBL25084337

SCHEMBL25084337

CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COC)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.81
AGTR1 P30556 5/20 0.81

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
SCHEMBL6539777 0.95 EDNRA (0.73) EDNRAAGTR1
SCHEMBL6539096 0.95 EDNRA (0.81) EDNRAAGTR1
SCHEMBL27423500 0.93 EDNRA (0.77) EDNRAAGTR1
SCHEMBL30296169 0.93 EDNRA (0.77) EDNRAAGTR1
SCHEMBL25083911 0.93 EDNRA (0.80) EDNRAAGTR1
SCHEMBL6540036 0.92 EDNRA (0.72) EDNRAAGTR1
SCHEMBL5526014 0.91 EDNRA (0.80) EDNRAAGTR1
SCHEMBL25084357 0.89 EDNRA (0.65) EDNRAAGTR1
SCHEMBL25084254 0.88 EDNRA (0.77) EDNRAAGTR1
SCHEMBL30296027 0.88 EDNRA (0.77) EDNRAAGTR1

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-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed