SCHEMBL29047366

SCHEMBL29047366

Cc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 20/20 0.52
CYP3A4 P08684 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
SCHEMBL30476540 1.00 AGTR2 (0.52) AGTR2CYP3A4
SCHEMBL29437911 0.92 AGTR2 (0.51) AGTR2CYP3A4
SCHEMBL25248505 0.92 AGTR2 (0.51) AGTR2CYP3A4
SCHEMBL26130042 0.91 AGTR2 (0.53) AGTR2CYP3A4
SCHEMBL30627538 0.90 AGTR2 (0.61) AGTR2CYP3A4
SCHEMBL25253768 0.90 AGTR2 (0.61) AGTR2CYP3A4
SCHEMBL29047305 0.89 AGTR2 (0.53) AGTR2CYP3A4
SCHEMBL29047315 0.89 AGTR2 (0.53) AGTR2CYP3A4
SCHEMBL29047303 0.87 AGTR2 (0.51) AGTR2CYP3A4
SCHEMBL25293677 0.87 AGTR2 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568682-A Novel compounds for the treatment of angiotensin II related diseases 维科尔药物公司 2023-08-08 CN disclosed