SCHEMBL9843668

SCHEMBL9843668

CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 2/20 0.48
PPARG P37231 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
SCHEMBL9844118 0.84 PPARG (0.52) AGTR1AGTR2PPARG
SCHEMBL9401976 0.82 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9199820 0.81 PPARG (0.57) AGTR1AGTR2PPARG
SCHEMBL7014756 0.81 PPARG (0.50) AGTR1AGTR2PPARG
SCHEMBL9843817 0.81 PPARG (0.52) AGTR1AGTR2PPARG
SCHEMBL7009867 0.80 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9126087 0.79 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9401993 0.79 AGT (0.61) AGTR1AGTR2
SCHEMBL9843820 0.79 PPARG (0.57) AGTR1PPARG
SCHEMBL8823614 0.79 AGTR1 (0.56) 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
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed