SCHEMBL9252852

SCHEMBL9252852

CCCc1nc2nncn2c(O)c1Cc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
AGTR1 P30556 2/20 0.41
AGTR2 P50052 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
SCHEMBL7308530 0.82 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL7318558 0.80 AGTR1 (0.41) AGTR1
SCHEMBL9256150 0.79 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL7321120 0.72 ESR2 (0.36) PPARGAGTR1AGTR2
SCHEMBL9255952 0.70 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL30207677 0.68 BCAT2 (0.69) PPARG
SCHEMBL7313672 0.67 PPARG (0.46) PPARGAGTR1AGTR2
SCHEMBL9848938 0.66 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL7310723 0.66 PPARG (0.45) PPARG
SCHEMBL30892679 0.66 BCAT2 (0.65) 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-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed