SCHEMBL9309988

SCHEMBL9309988

CCCc1nc(C)n2c(=O)n(CC(=O)O)nc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.42
AGTR2 P50052 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL9310998 0.91 AGTR1 (0.43) AGTR1PPARG
SCHEMBL9308969 0.89 PPARG (0.47) AGTR1PPARG
SCHEMBL9307718 0.80
SCHEMBL9309813 0.80
SCHEMBL9308556 0.80 AGTR1 (0.49) AGTR1
SCHEMBL2845783 0.79 ACHE (0.43)
SCHEMBL1892334 0.79 PPARG (0.47) AGTR1PPARG
SCHEMBL9309109 0.78 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL1893086 0.78 PPARG (0.45) AGTR1PPARG
SCHEMBL9308991 0.77

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-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed