SCHEMBL8690404

SCHEMBL8690404

CCCn1nc(C)c(C(=O)OCC)c1-c1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42

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
SCHEMBL8690661 0.92 AGTR2 (0.44) AGTR1AGTR2
SCHEMBL8691317 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8693660 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8694898 0.87 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8695037 0.84 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8693958 0.82 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL8696753 0.81 SLC6A3 (0.42)
SCHEMBL8691423 0.79 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL8690642 0.79 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL8690833 0.78 AGTR1 (0.43) AGTR1AGTR2

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-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed