SCHEMBL6820503

SCHEMBL6820503

CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.62
AGTR1 P30556 1/20 0.62
CYP2C9 P11712 1/20 0.58
CYP2B6 P20813 1/20 0.58

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
SCHEMBL4175716 0.94 AGTR2 (0.65) AGTR2AGTR1CYP2C9CYP2B6
SCHEMBL4183560 0.86 AGTR2 (0.67) AGTR2AGTR1CYP2C9CYP2B6
SCHEMBL4188608 0.81 AGTR2 (0.66) AGTR2CYP2C9CYP2B6
SCHEMBL4194934 0.81 AGTR2 (0.62) AGTR2CYP2C9CYP2B6
SCHEMBL4183014 0.80 AGTR2 (0.64) AGTR2CYP2C9CYP2B6
SCHEMBL7123178 0.80 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL6823393 0.79 AGTR2 (0.71) AGTR2AGTR1
SCHEMBL17781911 0.78 AGTR2 (0.66) AGTR2CYP2C9CYP2B6
SCHEMBL4188643 0.78 AGTR2 (0.64) AGTR2CYP2C9CYP2B6
SCHEMBL4187910 0.77 AGTR2 (0.69) AGTR2AGTR1CYP2C9CYP2B6

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
WO-2004085420-A1 BICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-10-07 WO claimed