SCHEMBL8979778

SCHEMBL8979778

CCCCc1nc(NC(=S)NC)[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
LTB4R2 Q9NPC1 1/20 0.43
ACHE P22303 1/20 0.43
BDKRB1 P46663 1/20 0.42
BRS3 P32247 1/20 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
SCHEMBL8979812 0.92 AGTR2 (0.50) AGTR1AGTR2LTB4R2BRS3
SCHEMBL8979907 0.90 AGTR1 (0.46) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8672154 0.88 ACHE (0.47) AGTR1AGTR2ACHEBDKRB1BRS3
SCHEMBL8979838 0.88 AGTR1 (0.44) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8671895 0.87 AGTR1 (0.46) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8979775 0.87 AGTR1 (0.45) AGTR1AGTR2LTB4R2ACHEBDKRB1
SCHEMBL8979794 0.86 AGTR1 (0.46) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8979760 0.85 AGTR1 (0.49) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8979880 0.85 AGTR1 (0.49) AGTR1AGTR2LTB4R2ACHEBRS3
SCHEMBL8979890 0.85 AGTR1 (0.45) AGTR1AGTR2LTB4R2ACHEBRS3

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-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed