SCHEMBL27420331

SCHEMBL27420331

CBCc1cc(CN2C(=O)C3(CCCC3)N=C2CCCC)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.61
EDNRA P25101 4/20 0.61
ACHE P22303 5/20 0.44
AGTR2 P50052 2/20 0.44
LTB4R2 Q9NPC1 3/20 0.43
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC10A1 Q14973 1/20 0.41

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
SCHEMBL5525535 0.94 AGTR1 (0.65) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL5530293 0.94 AGTR1 (0.66) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL25084269 0.93 AGTR1 (0.62) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL30844568 0.93 AGTR1 (0.62) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL25084413 0.92 AGTR1 (0.62) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL535724 0.91 EDNRA (0.74) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL29800074 0.91 EDNRA (0.74) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL30844595 0.91 AGTR1 (0.59) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL25083921 0.91 AGTR1 (0.59) AGTR1EDNRAACHEAGTR2LTB4R2
SCHEMBL31017557 0.90 AGTR1 (0.62) AGTR1EDNRAACHEAGTR2LTB4R2

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
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