SCHEMBL29700607

SCHEMBL29700607

CCCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2CC)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 20/20 0.54
CYP3A4 P08684 1/20 0.44
AGTR1 P30556 1/20 0.43

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
SCHEMBL23121204 1.00 AGTR2 (0.54) AGTR2CYP3A4AGTR1
Trifluoroacetic Acid SCHEMBL23120721 0.96 AGTR2 (0.51) AGTR2CYP3A4
SCHEMBL27081932 0.95 AGTR2 (0.54) AGTR2CYP3A4AGTR1
SCHEMBL29700575 0.93 AGTR2 (0.52) AGTR2CYP3A4AGTR1
SCHEMBL23120747 0.93 AGTR2 (0.50) AGTR2CYP3A4
SCHEMBL29700571 0.93 AGTR2 (0.50) AGTR2CYP3A4
SCHEMBL23121148 0.93 AGTR2 (0.52) AGTR2CYP3A4AGTR1
SCHEMBL23120881 0.92 AGTR2 (0.59) AGTR2CYP3A4AGTR1
SCHEMBL23120900 0.91 AGTR2 (0.54) AGTR2CYP3A4AGTR1
SCHEMBL25248583 0.91 AGTR2 (0.55) AGTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031240-A1 NEW COMPOUNDS Vicore Pharma AB (SE) 2022-07-27 EP claimed
CN-114786774-A Novel compounds 维科尔药物公司 2022-07-22 CN claimed
EP-4031240-A1 NEW COMPOUNDS Vicore Pharma AB (SE) 2022-07-27 EP disclosed
CN-114786774-A Novel compounds 维科尔药物公司 2022-07-22 CN disclosed