SCHEMBL25084142

SCHEMBL25084142

BC(B)(B)OCc1cc(CN2C(=O)C3(CCCCC3)N=C2CCCC)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.84
AGTR1 P30556 4/20 0.84
AGTR2 P50052 2/20 0.48
ACHE P22303 3/20 0.44
EDNRB P24530 1/20 0.44
LTB4R2 Q9NPC1 2/20 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
SCHEMBL6540306 0.94 EDNRA (0.87) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL27424835 0.93 AGTR1 (0.75) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL30844582 0.93 EDNRA (0.85) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL27420029 0.93 EDNRA (0.85) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL25084441 0.92 EDNRA (0.88) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL27418345 0.92 EDNRA (0.99) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL6540125 0.92 EDNRA (0.89) EDNRAAGTR1AGTR2ACHEEDNRB
SCHEMBL6539684 0.92 EDNRA (0.89) EDNRAAGTR1AGTR2ACHEEDNRB
Sparsentan SCHEMBL535109 0.91 EDNRA (1.00) EDNRAAGTR1AGTR2ACHEEDNRB
Sparsentan SCHEMBL29706489 0.91 EDNRA (1.00) EDNRAAGTR1AGTR2ACHEEDNRB

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