SCHEMBL8345753

SCHEMBL8345753

CCOC(=O)C(C)(O)c1c(SC)nc(C)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 17/20 0.72
AGTR1 P30556 3/20 0.64

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
SCHEMBL8353768 0.92 AGTR2 (0.84) AGTR2AGTR1
SCHEMBL8348626 0.92 AGTR2 (0.72) AGTR2AGTR1
SCHEMBL8345736 0.84 AGTR2 (0.61) AGTR2
SCHEMBL8350650 0.81 AGTR2 (0.89) AGTR2AGTR1
SCHEMBL6545419 0.79 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8351909 0.79 AGTR2 (0.56) AGTR2
SCHEMBL8347071 0.78 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8352504 0.78 AGTR2 (0.77) AGTR2AGTR1
SCHEMBL8348556 0.77 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL7477923 0.77 AGTR2 (0.82) 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-5977155-A CARDIOVASCULAR, KIDNEYS HOECHST MARION ROUSSEL (FR) 1999-11-02 US disclosed