SCHEMBL30296176

SCHEMBL30296176

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(CC)c2C)c(COCC)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.79
AGTR1 P30556 6/20 0.79
AGTR2 P50052 3/20 0.49
ACHE P22303 2/20 0.45
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2B P41595 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC10A1 Q14973 1/20 0.44
LTB4R2 Q9NPC1 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
SCHEMBL25083933 1.00 EDNRA (0.79) EDNRAAGTR1AGTR2ACHEABCC3
SCHEMBL29706567 0.94 EDNRA (0.81) EDNRAAGTR1AGTR2
SCHEMBL4773488 0.94 EDNRA (0.81) EDNRAAGTR1AGTR2
SCHEMBL25084274 0.93 EDNRA (0.74) EDNRAAGTR1AGTR2ACHEABCC3
SCHEMBL30295915 0.93 EDNRA (0.74) EDNRAAGTR1AGTR2ACHEABCC3
SCHEMBL4767402 0.89 EDNRA (0.78) EDNRAAGTR1AGTR2
SCHEMBL25084451 0.89 EDNRA (0.78) EDNRAAGTR1AGTR2ACHE
Sparsentan SCHEMBL29706489 0.89 EDNRA (1.00) EDNRAAGTR1AGTR2ACHELTB4R2
Sparsentan SCHEMBL535109 0.89 EDNRA (1.00) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25083861 0.88 EDNRA (0.81) 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 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