SCHEMBL30195046

SCHEMBL30195046

CC(C)Cc1ccc(S(N)(=O)=O)c(-c2ccc(Cn3ccnc3C(C)(C)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 13/20 0.44
AGTR1 P30556 1/20 0.34
GRM2 Q14416 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL23831146 0.92 AGTR2 (0.49) AGTR2
SCHEMBL25236060 0.87 AGTR2 (0.43) AGTR2AGTR1CA12CA1CA2
SCHEMBL30194995 0.86 AGTR2 (0.45) AGTR2
SCHEMBL30338037 0.86 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL23831153 0.86 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL29958677 0.86 AGTR2 (0.47) AGTR2AGTR1GRM2CA12CA1
SCHEMBL23842522 0.85 AGTR2 (0.59) AGTR2AGTR1
Potassium Ion SCHEMBL30394494 0.83 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL23831166 0.82 AGTR2 (0.49) AGTR2
SCHEMBL30195249 0.81 AGTR2 (0.41) AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916229-A Novel selective angiotensin II compounds 维科尔药物公司 2024-04-19 CN disclosed
WO-2023281271-A1 NEW SELECTIVE ANGIOTENSIN II COMPOUNDS VICORE PHARMA AB (SE) 2023-01-12 WO disclosed