SCHEMBL8689334

SCHEMBL8689334

CCC(C)c1nc(SC)c(C(C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCC2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 13/20 0.75
AGTR1 P30556 11/20 0.75

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
SCHEMBL8348099 0.95 AGTR2 (0.83) AGTR2AGTR1
SCHEMBL8352513 0.88 AGTR2 (0.78) AGTR2AGTR1
SCHEMBL8351305 0.88 AGTR2 (0.71) AGTR2AGTR1
SCHEMBL8348229 0.87 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL8351901 0.86 AGTR2 (0.79) AGTR2AGTR1
SCHEMBL8347422 0.83 AGTR1 (0.65) AGTR2AGTR1
SCHEMBL8348138 0.82 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL8351241 0.82 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8348100 0.82 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8347062 0.81 AGTR2 (0.67) AGTR2AGTR1

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
US-5807878-A CARDIOVASCULAR DISORDERS Uclaf, Roussel (FR) 1998-09-15 US disclosed