SCHEMBL9308969

SCHEMBL9308969

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

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
AGTR1 P30556 1/20 0.47

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) PPARGAGTR1
SCHEMBL9309988 0.89 AGTR1 (0.42) PPARGAGTR1
SCHEMBL9308556 0.85 AGTR1 (0.49) AGTR1
SCHEMBL9308761 0.83 CYP19A1 (0.42)
SCHEMBL9308991 0.82
SCHEMBL1892334 0.82 PPARG (0.47) PPARGAGTR1
SCHEMBL9308944 0.82 AGTR1 (0.69) PPARGAGTR1
SCHEMBL9310075 0.81 PPARG (0.45) PPARG
SCHEMBL1893086 0.81 PPARG (0.45) PPARGAGTR1
SCHEMBL9310390 0.81 PPARG (0.45) PPARG

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