SCHEMBL27428131

SCHEMBL27428131

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(C(=O)N2CCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.73
EDNRA P25101 3/20 0.73
AGTR2 P50052 2/20 0.53
ACHE P22303 3/20 0.48
LTB4R2 Q9NPC1 2/20 0.48

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
SCHEMBL6540372 0.92 AGTR1 (0.77) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540611 0.92 AGTR1 (0.76) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540117 0.91 AGTR1 (0.75) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540870 0.91 AGTR1 (0.77) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540864 0.91 AGTR1 (0.75) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL25084341 0.90 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL30844555 0.90 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540548 0.89 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6539684 0.89 EDNRA (0.89) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL29706543 0.88 EDNRA (0.87) AGTR1EDNRAAGTR2ACHELTB4R2

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
CN-117836294-A Biological antagonist containing aromatic ring, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-04-05 CN disclosed