SCHEMBL30645006

SCHEMBL30645006

CCc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2S(N)(=O)=O)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 20/20 0.44
CYP3A4 P08684 1/20 0.37

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
SCHEMBL26126026 1.00 AGTR2 (0.44) AGTR2CYP3A4
SCHEMBL26125501 0.92 AGTR2 (0.46) AGTR2CYP3A4
SCHEMBL29088503 0.90 AGTR2 (0.46) AGTR2CYP3A4
SCHEMBL30645018 0.90 AGTR2 (0.49) AGTR2CYP3A4
SCHEMBL26127110 0.90 AGTR2 (0.49) AGTR2CYP3A4
SCHEMBL26126548 0.89 AGTR2 (0.43) AGTR2CYP3A4
SCHEMBL30613499 0.89 AGTR2 (0.43) AGTR2CYP3A4
SCHEMBL26129333 0.89 AGTR2 (0.46) AGTR2CYP3A4
SCHEMBL26129162 0.87 AGTR2 (0.52) AGTR2CYP3A4
SCHEMBL23121345 0.87 AGTR2 (0.46) 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-116891464-A AT2R agonist 武汉人福创新药物研发中心有限公司 2023-10-17 CN disclosed