SCHEMBL17781900

SCHEMBL17781900

CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(CN(CC)C(=O)C2=CC=CCC2=S)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2B6 P20813 1/20 0.59
AGTR1 P30556 1/20 0.51

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
SCHEMBL17781893 0.95 AGTR2 (0.56) AGTR2CYP2C9CYP2B6
SCHEMBL17781901 0.93 AGTR2 (0.58) AGTR2CYP2C9CYP2B6
SCHEMBL17781895 0.87 AGTR2 (0.60) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL4187910 0.85 AGTR2 (0.69) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL4183324 0.85 AGTR2 (0.65) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL4188608 0.82 AGTR2 (0.66) AGTR2CYP2C9CYP2B6
SCHEMBL4183014 0.81 AGTR2 (0.64) AGTR2CYP2C9CYP2B6
SCHEMBL17781906 0.80 AGTR2 (0.68) AGTR2CYP2C9CYP2B6
SCHEMBL4183361 0.80 AGTR2 (0.68) AGTR2CYP2C9CYP2B6
SCHEMBL4194934 0.80 AGTR2 (0.62) AGTR2CYP2C9CYP2B6

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
EP-1869009-B1 NEW BICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2016-06-01 EP claimed