SCHEMBL30296268

SCHEMBL30296268

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(CNC(=O)OC)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.81
AGTR1 P30556 4/20 0.81
AGTR2 P50052 2/20 0.52
ACHE P22303 3/20 0.49
LTB4R2 Q9NPC1 2/20 0.46
EDNRB P24530 1/20 0.44

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
SCHEMBL27420465 1.00 EDNRA (0.81) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL31017594 0.94 EDNRA (0.81) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6539684 0.92 EDNRA (0.89) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6484488 0.92 EDNRA (0.87) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL29706543 0.92 EDNRA (0.87) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL5791243 0.92 EDNRA (0.87) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6540125 0.91 EDNRA (0.89) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL5534811 0.91 EDNRA (0.84) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6540544 0.91 EDNRA (0.84) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL15721470 0.91 EDNRA (0.86) EDNRAAGTR1AGTR2ACHELTB4R2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
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